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 <jalem...@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
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==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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