[gmx-users] Error with "grompp"

Justin Lemkul jalemkul at vt.edu
Sat Oct 6 20:32:44 CEST 2012

On 10/6/12 2:30 PM, Elie M wrote:
> Yeah sorry about that. i thought about it at the moment I was sending the e-mail..The problem I am so desperate about getting all files correct to minimize my polymer. It has really taken a long time. Anyhow you were right. Switching the order did not do anything; the error is still there. Now it is a bit weird because the bond is there in the file then why it cannot find it? Any suggestions?

I will attempt to debug this.  Please send me (off-list):

1. Your coordinate file
2. Your topology
3. The .mdp file you are using
4. The force field files



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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