[gmx-users] Problem executing do_dssp in gromacs
jalemkul at vt.edu
Mon Feb 16 19:23:06 CET 2015
After looking at this a bit more closely for someone else who asked the same
question, your clue is here:
dssp cmd='/usr/local/bin/dssp -na dd31ZWbc ddI6at3a > /dev/null 2> /dev/null'
For some reason your do_dssp command is triggering version 1 syntax. A version
2 command should be something like:
dssp cmd='/usr/local/bin/dssp -i ddYB5REk -o ddxi1TAx > /dev/null 2> /dev/null'
Note the difference in -i/-o vs. -na. This is the nature of the problem when
dealing with different versions. Somehow there's a disconnect between your DSSP
version or the command you're telling us you're issuing.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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