Hi,
I know this issue has been discussed in some form before, but hough
may be I resurface it again. Is it possible to transfer a UFF
forcefield to a GROMACS forcefield with help of a script? UFF force-
field cannot be used in GROMACS as per my understanding, and I
renamed the FF types of an UFF based small peptide to GROMACS by
hand, but I am afraid this will take for ever in longer systems.
Also if someone can highlight upon what is the basic difference in
UFF type forcefields and GROMACS (parameter or potential function-
wise) that would be great.
Thanks so much for your help.
regards,
Subhashis
Subhashis Biswas
Post-doctoral Research Associate
Department of Energy, Environment & Chemical Engineering
Washington University in St Louis
1 Brookings Drive, Mail Stop 1180
St Louis, MO 63130
[EMAIL PROTECTED]
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