Project ID: plumID:19.028
Source: Lysozyme/round4/plumed.4.dat
Originally used with PLUMED version: 2.3
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

WHOLEMOLECULES ENTITY0=1-2881


lig: COM ATOMS=2870,2872,2874


d1: DISTANCE ATOMS=lig,1533
d2: DISTANCE ATOMS=lig,1716
d3: DISTANCE ATOMS=lig,2285
d4: DISTANCE ATOMS=lig,2005
d5: DISTANCE ATOMS=lig,1905
d6: DISTANCE ATOMS=lig,2239 
d7: DISTANCE ATOMS=lig,2424
d8: DISTANCE ATOMS=lig,2523

helix1: COM ATOMS=1416,1428,1452,1475,1501,1513,1533,1554,1566
helix2: COM ATOMS=1964,1980,1994,2005,2028,2052,2071,2094,2111
helix3: COM ATOMS=2176,2200,2212,2227,2239,2251,2271,2285,2308
helix4: COM ATOMS=2535,2559,2583,2603,2626,2642,2658,2678,2702

hd12: DISTANCE ATOMS=helix1,helix2
hd23: DISTANCE ATOMS=helix2,helix3
hd34: DISTANCE ATOMS=helix3,helix4


COMBINE LABEL=rc1 ARG=d1,d2,d3,d4,d5,d6,d7,d8,hd12,hd23,hd34  POWERS=1,1,1,1,1,1,1,1,1,1,1 COEFFICIENTS=0.12284315062731374,-0.21259161972480697,0.35112111438584803,-0.29373342211839154,0.1787051946254787,0.5632845789531697,-0.23123865376681804,-0.37903689621901265,-0.3125239692750005,-0.015943454312690033,0.2930157522372512 PERIODIC=NO






EXTERNAL ARG=rc1 FILE=static_bias.4.txt LABEL=external1


PRINT ARG=d1,d2,d3,d4,d5,d6,d7,d8,hd12,hd23,hd34,rc1,external1.bias STRIDE=1 FILE=benzene_Lyso_T298_4