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.
Regards,
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Dr. Goran Krilov Tel. (617) 552-8927
Assistant Professor Fax (617) 552-2705
Department of Chemistry E-mail: [EMAIL PROTECTED]
Boston College
Merkert Center, 2609 Beacon St
Chestnut Hill, MA 02467
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