[gmx-users] about umbrella sampling
vidhya sankar
scvsankar_agr at yahoo.com
Wed Dec 21 16:48:20 CET 2011
Dear Justin, Thank you for your immediate reply amidst of your busy schedule
I am trying to pull one of chain of my protein using umbrella option of gromacs (As did in your website tutorial) After umbrella pulling i have extracted all frame of .gro from .trr files . i am getting various .gro files.As stated in tutorial i am using g_dist command it shows progression of COM between Chain A(Mobile group) and Chain_B ( Reference group). i have not used the Perl script
using Distance.xvg files (Obtained as output of g_dist) Can i select spacing for sampling.?
The above My Assumption is wright or wrong.?Thanks in advance
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