subject:"\[gmx\-users\] HIS in charmm27.ff"

Re: [gmx-users] HIS in charmm27.ff

2013-04-05 Thread Justin Lemkul

On 4/5/13 4:23 AM, 라지브간디 wrote: Dear gmx, I understood that CHARMM supports two neutral/protonated histidine (HSD/HSE) and fully protonated(HSP). How about the heme bound HIS version? I couldn't find the HIS1 which knows as histidine bound to a heme? how do i link the heme bound his using ch

[gmx-users] HIS in charmm27.ff

2013-04-05 Thread 라지브간디

Dear gmx, I understood that CHARMM supports two neutral/protonated histidine (HSD/HSE) and fully protonated(HSP). How about the heme bound HIS version? I couldn't find the HIS1 which knows as histidine bound to a heme? how do i link the heme bound his using charmm27.ff. -- gmx-users mailing