[gmx-users] umbrella sampling pull_group0 adn pull_group1

sreelakshmi ramesh sree.lakshmi at research.iiit.ac.in
Thu Jun 30 08:21:08 CEST 2011


Dear all,
           i wanted to do umbrella sampling on petide which is
completely folded.now in mdp file there is  a option  pull_group0 and
pull_group1  i just know the ref group and the one to which pulling
force has to be applied in pdb file their atom numbers are 201 adn 61
.how should i mention this in mdp file. for  pull_group0 and
pull_group1 .

regards,
sree.



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