Re: [gmx-users] Questions about position restraint for charged proteins

tabilizing mutations in the crystallized protein >and did you correct them? >Cheers, >Massimo >On 19 May 2014 03:07, "Koki Yokoi" wrote: > Dear Mark, > > Thank you for the reply. The muscarinic acetylcholine receptor consists of > seven coils( > http://en.wikipedia.org/w

Re: [gmx-users] Questions about position restraint for charged proteins

trying to model - neither the contents >of the PDB file nor the defaults of the topology building program can be >used blindly. >Mark >On May 19, 2014 3:07 AM, "Koki Yokoi" wrote: > Dear Mark, > > Thank you for the reply. The muscarinic acetylcholine re

Re: [gmx-users] Questions about position restraint for charged proteins

remaining five coils are positively charged. I would like to maintain this structure of M2(without lysozyme) as it is and immobilize it during my simulation, but position restraint doesn't seem to work.. Any help would be appreciated. Thank you very much. Koki On May 16, 2014 11:36 PM,

[gmx-users] Questions about position restraint for charged proteins

Hello. I am currently using GROMACS4.6.5 and trying to simulate a fluorescent protein(GFP,1EMB.pdb) fused to a muscarinic acetylcholine receptor(M2,3UON.pdb). PDB file of M2(3UON.pdb) included a lysozyme part(res#1002-1161), so I removed it to make the simulation consistent with our experimenta