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namitasingh9991 at gmail.com
Fri Sep 12 14:19:10 CEST 2014
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?
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 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
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