Project ID: plumID:21.021
Source: unbiased_inputs/tetrapept/650/plumed_unbiased.dat
Originally used with PLUMED version: 2.7-mod
Stable: raw zipped stdout - stderr
Master: raw zipped stdout - stderr

#

UNITS LENGTH=A

t1: TORSION ATOMS=5,7,9,15
t2: TORSION ATOMS=7,9,15,17
t3: TORSION ATOMS=15,17,19,25
t4: TORSION ATOMS=17,19,25,27
t5: TORSION ATOMS=25,27,29,35
t6: TORSION ATOMS=27,29,35,37


WHOLEMOLECULES ENTITY0=1-42
gyr: GYRATION TYPE=RADIUS ATOMS=5,15,25,35,9,19,29,11,21,31,2,39,7,17,27,37,6,16,26,36

hy: GROUP ATOMS=8,18,28,38
ox: GROUP ATOMS=6,16,26,36
c1: COORDINATION GROUPA=ox GROUPB=hy  SWITCH={CUBIC D_0=3 D_MAX=4} 

PRINT ARG=t1,t2,t3,t4,t5,t6 FILE=colvar STRIDE=1

PRINT ARG=gyr,c1 FILE=gyr_coord STRIDE=1