Goran Krilov wrote:
Hi,
I am trying to build a topology file for a polymer, and I am receiving
the error:
Fatal error:
[ file "pvp.top", line 2607 ]:
Proper Dih. multiplicity can not be perturbed
-8.368000!=0.000000
However, the line in question actually contains the first if improper
dihedral
angles that are defined as propers under the OPLS convention.
Any ideas as to what may be wrong are greatly appreciated.
You've got the formatting of the file wrong. Please include this line
and several lines around it in your post if you want useful feedback.
Mark
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