[gmx-users] (no subject)

[Justin Lemkul]

On 9/12/14 8:19 AM, Namita Singh wrote:
> Yes .xvg output file got generated without errors. Kindly see to it if the
> command mentioned in my previous mail is correct for getting the
> residue-residue contact of protein complexes. Also as i mentioned that why
> am i not getting the log file generated even after giving the -g hbond.log?
>

A .log file is only written when generating maps with -hbm and -hbn.

-Justin

> On Fri, Sep 12, 2014 at 5:41 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
>
>>
>>
>> On 9/12/14 6:11 AM, Namita Singh wrote:
>>
>>> i nwant to generate a log file for residue residue contact of a
>>> protein-protein complex.I am using
>>>
>>> g_hbond -s a.tpr -f c.xtc  -r 0.55 -num hbond.xvg -g hbond.log -n
>>> atom_index.ndx  -contact
>>> bt i am not getting any log file.
>>>
>>>
>> Do you get the other output files?  Is there any error?
>>
>> -Justin
>>
>> --
>> ==================================================
>>
>> Justin A. Lemkul, Ph.D.
>> Ruth L. Kirschstein NRSA 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
>> http://mackerell.umaryland.edu/~jalemkul
>>
>> ==================================================
>>
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-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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
http://mackerell.umaryland.edu/~jalemkul

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