[gmx-users] Fwd: DSSP- error

Justin Lemkul jalemkul at vt.edu
Wed Jul 9 19:26:23 CEST 2014

On 7/9/14, 8:37 AM, Uma Devi wrote:
> Dear gromacs users,
> i am using gromacs 4.6.2. i tried the secondary structure analysis, using
> do_dssp. but i got the following error.
> Fatal error:
> Failed to execute command: /usr/local/bin/dssp.exe -na ddFyZGQ1 ddTj0ABl >
> /dev/null 2> /dev/null.
> i am using amd, with cemtos. i downloaded dssp executable, then placed it
> in /usr/local/bin.
> i gave permission using chmod a+x dssp.
> then i export dssp from my folder using
> export DSSP=/usr/local/bin/dssp
> please help me to sort it out the problem

Did you do what I suggested to you earlier by making sure you set the DSSP 
environment variable correctly?  do_dssp shouldn't be trying to execute dssp.exe 
if you told it to use dssp.



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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