[gmx-users] Ethanolamine force-field parameters missing in charmm27.ff

jneeraj jneeraj at mit.edu
Tue Feb 19 15:41:48 CET 2013


I plan to run a MD on a protein + ethanolamine (ETAM) system using Gromacs
ver 4.5.5 with charmm27 force-field. 
Though charmm27 force-field (top_all27_prot_lipid.inp, also see 
<http://users.mccammon.ucsd.edu/~rlaw/top_all27_prot_lipid.inp.htm>  ) has
the force-field parameters for residue ETAM, charmm27.ff of gromacs does not
define ETAM residue. Is there any quick way of importing ETAM residue from
top_all27_prot_lipid.inp to charmm27.ff ?

Thank you,

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