[gmx-users] pulling direction in Umbrella sampling
Kshatresh Dutta Dubey
kshatresh at ymail.com
Sun Apr 14 08:09:46 CEST 2013
Dear Users,
I am using umbrella sampling method for unwinding of a peptide from binding site. I have to pull peptide in -X (negative direction). Can anyone suggest me keyword for this purpose. Should I use pulling_dim = Y N N or have to define some other keywords.
I will be thankful for every help. Thanking you in advance.
Regards
Kshatresh Dutta Dubey
More information about the gromacs.org_gmx-users
mailing list