[gmx-users] (no subject)

Justin Lemkul jalemkul at vt.edu
Sun Dec 2 17:35:24 CET 2018

On 12/1/18 8:11 AM, Soham Sarkar wrote:
> Dear all,
> This is the error I get while executing the grompp command
>   "     Program grompp, VERSION 4.5.6
> Source code file: topio.c, line: 582
> Fatal error:
> Syntax error - File tris.itp, line 19
> Last line read:
> I gave the command like:
> " grompp -f ions.mdp -c solv.gro -o ions.tpr -p system.top
> <https://www.researchgate.net/deref/http%3A%2F%2Fsystem.top> "
> I am attaching the input files. I have generated the tris.itp from tppmktop

Attachments are not allowed on the mailing list.

There are several things to consider. The first is that version 4.5.6 is 
ancient and no longer supported. Use a modern GROMACS version. The 
second is to look at what is in the topology on line 19 to see how not 
to trigger the error that you're getting.



Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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