[gmx-users] dihedral function type 9 in rtp file

[Dallas Warren]

http://lists.gromacs.org/pipermail/gmx-users/2010-August/053255.html

 

Catch ya,

Dr. Dallas Warren

Medicinal Chemistry and Drug Action

Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail. 

 

From: gmx-users-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Jianhui Tian
Sent: Thursday, 26 August 2010 2:26 AM
To: gmx-users at gromacs.org
Subject: [gmx-users] dihedral function type 9 in rtp file

 

Hi,

In the rtp file of Gromacs version 4.5-beta3, the dihedral function type
for proper dihedrals is 9. However, I can't find any documentation about
the function form of this function type. 
Also, you can add multiple dihedral potentials for one dihedral term
explicitly in the rtp file. 
The term is:

[ dihedrals ] ; optional




;atom1 atom2 atom3 atom4 phi0 cp mult



What is the function form here?



Thanks.



Jianhui







 

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