Re: [gmx-users] .pqr to .pdb

2010-12-02 Thread Maximiliano Figueroa
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

Re: [gmx-users] which force field for a protein-protein complex?

2008-09-11 Thread Maximiliano Figueroa
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

Re: [gmx-users] which force field for a protein-protein complex?

2008-09-10 Thread Maximiliano Figueroa
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