On 4/30/18 1:18 AM, Ragothaman Yennamalli wrote:
We have a heme for which PRODRG does not generate the topology file, as Fe
atom is not supported.
Is there an alternative for generating topology file for Heme molecule?
GROMOS and CHARMM force fields support heme without any additional
param
We have a heme for which PRODRG does not generate the topology file, as Fe
atom is not supported.
Is there an alternative for generating topology file for Heme molecule?
Thanks and Regards,
Raghu
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