[gmx-users] OPLSS-AA

Adriana Pietropaolo adriana at ms.fci.unibo.it
Tue Feb 21 09:48:23 CET 2006

Hi David, hi gmx-users,
I had not a reply about dihedrals angles, 
but I need to have an answer to be more confident.
I used OPLS-AA for a protein dynamics in water, and g_rama does not work.
I would like to know if the torsion parameters are correctly read with the 
OPLS-AA topology, I found in the past gromacs mail that could be a 
problem and it was suggested to use ffgmx2, I tried too but there's an 
answer like: "Atom K not found in the database"...but I've not potassium, 
I don't know if K is a general atom...
anyway please tell me if OPLSS-AA is good for gromacs-dyanmics...
please, help me...

Adriana Pietropaolo,
PhD student,
dipartimento di Chimica Fisica ed Inorganica,
Facolta' di Chimica Industriale
Universita' di Bologna
Tel 051/6446992
FAX 051/2093690 

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