Ramachandran G wrote:
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,
That's not true; all of the Gromos variants have heme parameters.
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.
Well, what is it that you tried? The error message is quite clear - you do not
have a [ HEME ] directive in the .rtp file for whatever force field you're
trying to use.
-Justin
Rama
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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