NAMD and Gromac OPLS parameters

From: David Chalmers (david.chalmers_at_vcp.monash.edu.au)
Date: Thu Feb 26 2004 - 21:46:12 CST

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Hi All,

We would like to do some simulations running on NAMD that use Gromacs OPLS
parameters (from Gromacs 3.2). Is this possible? When we try this on
NAMD 2.5 we find that it dies with "Fatal error on PE 0> FATAL ERROR:
Please specify either XPLOR or CHARMM format for parameters!"

Regards

David
_____________________________________________________________________________

David Chalmers Lab: 9903 9110
Victorian College of Pharmacy Fax: 9903 9582
381 Royal Pde, Parkville, Vic 3053
Australia David.Chalmers_at_vcp.monash.edu.au
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