No, you're wrong. There are parameters for HEME in several flavours of
the GROMOS forcefields, which you can find in the share/gromacs/top/
directory.
Ramachandran G skrev:
Dear all,
It is known that force field for the heme group doesn't exist
in gromacs. So i tried to use amber force fields(AMBER94, AMBER99,
AMBER99p, AMBER03, AMBERGS, AMBERGSs) by patching with my latest
gromacs version 4.0.5 but still it gives the error message
'Residue 'HEME' not found in residue topology database'
Can anyone help me how to solve this problem. Thanks for your help.
Rama
--
-----------------------------------------------
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: +46 18 471 4537 fax: +46 18 511 755
[email protected] http://xray.bmc.uu.se/molbiophys
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