[gmx-users] Error with "grompp"
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
More information about the gromacs.org_gmx-users