[gmx-users] entropy calculation

[Justin Lemkul]

On 7/17/13 7:56 AM, pooja_gupta at nccs.res.in wrote:
> I used system (0) for g-covar.
>

Most likely, g_anaeig is running out of memory.  Try using some subset of the 
system, like the protein only or its backbone.

-Justin

>> 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
>> School of Pharmacy
>> Health Sciences Facility II, Room 601
>> University of Maryland, Baltimore
>> 20 Penn St.
>> Baltimore, MD 21201
>>
>> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
>>
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>
>
>

-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

==================================================