[gmx-users] MARTINI protonated histidine

2010-05-10 Thread Lea Thøgersen
I am trying to set up a simulation of a protein with the MARTINI force field. Two of the histidines in the protein are judged to be protonated and thus charged. This histidine is not described in the MARTINI force field as far as I can tell? I thought I could modify my way out of it by

Re: [gmx-users] MARTINI protonated histidine

2010-05-10 Thread XAvier Periole
I am trying to set up a simulation of a protein with the MARTINI force field. Two of the histidines in the protein are judged to be protonated and thus charged. This histidine is not described in the MARTINI force field as far as I can tell? No there is no parameters for charged