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
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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