Hi,
if your pqr file has not coordinates, is impossible convert to PDB. What is
the format of the original file?.
However, the PQR file normally has more atoms because add hydrogens.
Can you paste a little part of your pqr and pdb?
Best regards
Maxi
On Thu, Dec 2, 2010 at 3:24 PM, mohsen
not sure whether the
(newer) GROMOS force fields can handle them correctly, maybe Alan's
suggestion to try Amber/Gaff is not so bad.
Hope it helps,
Tsjerk
On Thu, Sep 11, 2008 at 2:55 AM, Maximiliano Figueroa
[EMAIL PROTECTED] wrote:
I was working with protein complex, and after tests
I was working with protein complex, and after tests some FF, I could obtain
best results with oplss/aa
On Wed, Sep 10, 2008 at 12:07 PM, Alan [EMAIL PROTECTED] wrote:
Short answer, try Amber99SB with Gaff.
Alan
Message: 1
Date: Fri, 5 Sep 2008 15:06:21 +0200
From: Paula Gonz?lez-Rubio
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