[gmx-users] entropy calculation

pooja_gupta at nccs.res.in pooja_gupta at nccs.res.in
Wed Jul 17 13:56:11 CEST 2013


I used system (0) for g-covar.

Pooja
>
>
> On 7/17/13 7:42 AM, pooja_gupta at nccs.res.in wrote:
>> thanks for reply
>>
>> i am using Gromacs 4.5.5 version
>> command
>> g_anaeig -v *.trr -entropy  -s *.tpr -extr -f *.pdb -rmsf -3d -comp
>>
>
> What was the g_covar command used to generate the eigenvector .trr file?
> What
> group did you choose for analysis during g_covar?
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
>
> Department of Pharmaceutical Sciences
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
>
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