[gmx-users] RB potential in 43a1

Patel Ronak Y ronakp at iitb.ac.in
Wed Mar 31 07:21:02 CEST 2004

Dear all,

Is it possible to use RB potential for long alkane chain with 43a1 force
field of GROMOS. For GROMACS it is simple using CP2 atomtype, but what
about GROMOS.

Which forcefield is better for simulating carbohydrates, GROMOS 43a1 or
GROMACS (ffgmx.itp). For GROMOS I will have to use CH2 atomtype while for
GROMACS sugar CH2 is specially defined using CS2. Or both forcefields are
almost equal.


Patel Ronak Y.
Research Scholar,
Indian Institute of Technology Bombay,

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