Re: [gmx-users] Heme topology

2018-04-30 Thread Justin Lemkul
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

[gmx-users] Heme topology

2018-04-29 Thread Ragothaman Yennamalli
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 -- Gromacs Users mailing list * Please search the archive at