[gmx-users] Multiple torsional parameters
Pedro Alexandre Lapido Loureiro
paloureiro at biof.ufrj.br
Tue Aug 19 18:37:01 CEST 2003
Hi,
I am implementing the lipid force field of Smondyrev & Berkowitz (J Comp Chem
20, 531 - 1999).
The problem is they use two expressions for one dihedral, such as:
LC2 LC2O 1 0.0 5.8576 3
LC2 LC2O 1 180.0 4.184 1
I have built my .top file in this way.
When I run grompp, there is a warning saying the former parameters will be
overridden and the latter will be used.
How can I solve this?
(Sorry if a matter like this has been already discussed in the list...)
Cheers,
Pedro.
--
Pedro Alexandre Lapido Loureiro
Laboratório de Física Biológica
Instituto de Biofísica
UFRJ
Brasil
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