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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