Project ID: plumID:21.039
Source: data/ala2-psi/1_opes_psi/plumed.dat
Originally used with PLUMED version: 2.8
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
Click on the labels of the actions for more information on what each action computes
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.
phiThe TORSION action with label phi calculates the following quantities:| Quantity | Type | Description |
| phi | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=5,7,9,15
psiThe TORSION action with label psi calculates the following quantities:| Quantity | Type | Description |
| psi | scalar | the TORSION involving these atoms |
: TORSIONCalculate one or multiple torsional angles. More details ATOMSthe four atoms involved in the torsional angle=7,9,15,17
eneThe ENERGY action with label ene calculates the following quantities:| Quantity | Type | Description |
| ene | scalar | the internal energy |
: ENERGYCalculate the total potential energy of the simulation box. More details
INCLUDEIncludes an external input file, similar to #include in C preprocessor. More details. Show included file FILEfile to be included=../plumed-descriptors.dat
# INCLUDE FILE=../plumed-descriptors.dat
# vim:ft=plumedEnables syntax highlighting for PLUMED files in vim. See here for more details.
The INCLUDE action with label ../plumed-descriptors.dat calculates somethingd1The DISTANCE action with label d1 calculates the following quantities:| Quantity | Type | Description |
| d1 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,5
d2The DISTANCE action with label d2 calculates the following quantities:| Quantity | Type | Description |
| d2 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,6
d3The DISTANCE action with label d3 calculates the following quantities:| Quantity | Type | Description |
| d3 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,7
d4The DISTANCE action with label d4 calculates the following quantities:| Quantity | Type | Description |
| d4 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,9
d5The DISTANCE action with label d5 calculates the following quantities:| Quantity | Type | Description |
| d5 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,11
d6The DISTANCE action with label d6 calculates the following quantities:| Quantity | Type | Description |
| d6 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,15
d7The DISTANCE action with label d7 calculates the following quantities:| Quantity | Type | Description |
| d7 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,16
d8The DISTANCE action with label d8 calculates the following quantities:| Quantity | Type | Description |
| d8 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,17
d9The DISTANCE action with label d9 calculates the following quantities:| Quantity | Type | Description |
| d9 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=2,19
d10The DISTANCE action with label d10 calculates the following quantities:| Quantity | Type | Description |
| d10 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,6
d11The DISTANCE action with label d11 calculates the following quantities:| Quantity | Type | Description |
| d11 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,7
d12The DISTANCE action with label d12 calculates the following quantities:| Quantity | Type | Description |
| d12 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,9
d13The DISTANCE action with label d13 calculates the following quantities:| Quantity | Type | Description |
| d13 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,11
d14The DISTANCE action with label d14 calculates the following quantities:| Quantity | Type | Description |
| d14 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,15
d15The DISTANCE action with label d15 calculates the following quantities:| Quantity | Type | Description |
| d15 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,16
d16The DISTANCE action with label d16 calculates the following quantities:| Quantity | Type | Description |
| d16 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,17
d17The DISTANCE action with label d17 calculates the following quantities:| Quantity | Type | Description |
| d17 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=5,19
d18The DISTANCE action with label d18 calculates the following quantities:| Quantity | Type | Description |
| d18 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,7
d19The DISTANCE action with label d19 calculates the following quantities:| Quantity | Type | Description |
| d19 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,9
d20The DISTANCE action with label d20 calculates the following quantities:| Quantity | Type | Description |
| d20 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,11
d21The DISTANCE action with label d21 calculates the following quantities:| Quantity | Type | Description |
| d21 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,15
d22The DISTANCE action with label d22 calculates the following quantities:| Quantity | Type | Description |
| d22 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,16
d23The DISTANCE action with label d23 calculates the following quantities:| Quantity | Type | Description |
| d23 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,17
d24The DISTANCE action with label d24 calculates the following quantities:| Quantity | Type | Description |
| d24 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=6,19
d25The DISTANCE action with label d25 calculates the following quantities:| Quantity | Type | Description |
| d25 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,9
d26The DISTANCE action with label d26 calculates the following quantities:| Quantity | Type | Description |
| d26 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,11
d27The DISTANCE action with label d27 calculates the following quantities:| Quantity | Type | Description |
| d27 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,15
d28The DISTANCE action with label d28 calculates the following quantities:| Quantity | Type | Description |
| d28 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,16
d29The DISTANCE action with label d29 calculates the following quantities:| Quantity | Type | Description |
| d29 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,17
d30The DISTANCE action with label d30 calculates the following quantities:| Quantity | Type | Description |
| d30 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=7,19
d31The DISTANCE action with label d31 calculates the following quantities:| Quantity | Type | Description |
| d31 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,11
d32The DISTANCE action with label d32 calculates the following quantities:| Quantity | Type | Description |
| d32 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,15
d33The DISTANCE action with label d33 calculates the following quantities:| Quantity | Type | Description |
| d33 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,16
d34The DISTANCE action with label d34 calculates the following quantities:| Quantity | Type | Description |
| d34 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,17
d35The DISTANCE action with label d35 calculates the following quantities:| Quantity | Type | Description |
| d35 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=9,19
d36The DISTANCE action with label d36 calculates the following quantities:| Quantity | Type | Description |
| d36 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,15
d37The DISTANCE action with label d37 calculates the following quantities:| Quantity | Type | Description |
| d37 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,16
d38The DISTANCE action with label d38 calculates the following quantities:| Quantity | Type | Description |
| d38 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,17
d39The DISTANCE action with label d39 calculates the following quantities:| Quantity | Type | Description |
| d39 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=11,19
d40The DISTANCE action with label d40 calculates the following quantities:| Quantity | Type | Description |
| d40 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,16
d41The DISTANCE action with label d41 calculates the following quantities:| Quantity | Type | Description |
| d41 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,17
d42The DISTANCE action with label d42 calculates the following quantities:| Quantity | Type | Description |
| d42 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=15,19
d43The DISTANCE action with label d43 calculates the following quantities:| Quantity | Type | Description |
| d43 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,17
d44The DISTANCE action with label d44 calculates the following quantities:| Quantity | Type | Description |
| d44 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=16,19
d45The DISTANCE action with label d45 calculates the following quantities:| Quantity | Type | Description |
| d45 | scalar | the DISTANCE between this pair of atoms |
: DISTANCECalculate the distance/s between pairs of atoms. More details ATOMSthe pair of atom that we are calculating the distance between=17,19
ENDPLUMEDTerminate plumed input. More details</pre>
