[gmx-users] Problem in .gro file

Justin Lemkul jalemkul at vt.edu
Wed Jul 1 00:28:02 CEST 2015

On 6/30/15 6:12 PM, faride badalkhani wrote:
> I cannot understand what do you mean with input and output coordinates?

You have said that your .pdb file is fine but the .gro file is wrong.  You need 
to provide those files so that I/we can understand what is going on.

> I have attached the .gro, posre.itp and topol.top files.

The list does not accept attachments.  If I had a nickel for every time I've had 
to say that...

Upload the files to a any file-sharing service you like and provide a URL.



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


More information about the gromacs.org_gmx-users mailing list