[gmx-users] Function of dihedrals in top file

Shima Arasteh shima_arasteh2001 at yahoo.com
Tue Mar 19 19:31:14 CET 2013


As I found up to now, func 2 is related to improper dihedrals. How can I find improper dihedrals? Can I not add them?


 
Sincerely,
Shima


----- Original Message -----
From: Shima Arasteh <shima_arasteh2001 at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Cc: 
Sent: Tuesday, March 19, 2013 9:46 PM
Subject: [gmx-users] Function of dihedrals in top file



 Dears,

There is term of function for each 4 atoms in dihedral section in top file. How this function is defined? To add extra dihedrals manually, I need to add function too.

Thanks.

Sincerely,
Shima
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