[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.

Kshatresh Dutta Dubey

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