RE: [gmx-users] Disulfide between protein Cys and GSH

MACS users Subject: Re: [gmx-users] Disulfide between protein Cys and GSH 한상화 wrote: > Thank you Mark. > The method you suggest is exactly what I tried. > I prepared a structure of two molecules in which the S...S distance was > made to be 0.206 nm (this value is within the tolera

Re: [gmx-users] Disulfide between protein Cys and GSH

한상화 wrote: > Thank you Mark. > The method you suggest is exactly what I tried. > I prepared a structure of two molecules in which the S...S distance was > made to be 0.206 nm (this value is within the tolerance). > But when I ran pdb2gmx -ignh -ss, it only asked me to form intramolecular > disulfid

RE: [gmx-users] Disulfide between protein Cys and GSH

intermolecular disulfide. Sanghwa han -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham Sent: Wednesday, January 17, 2007 3:09 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Disulfide between protein Cys and GSH 한상화 wrote

Re: [gmx-users] Disulfide between protein Cys and GSH

한상화 wrote: > Dear Mark, > Could you kindly tell me how it can be done? The general procedure is to get a structure with the relevant S atoms close enough together, then use pdb2gmx -ss on that structure (possibly with -ignh too). You may need to copy specbond.dat from the library to your working d

RE: [gmx-users] Disulfide between protein Cys and GSH

flag for this purpose). Thanks -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Mark Abraham Sent: Wednesday, January 17, 2007 2:19 PM To: Discussion list for GROMACS users Subject: Re: [gmx-users] Disulfide between protein Cys and GSH 한상화 wrote: > D

Re: [gmx-users] Disulfide between protein Cys and GSH

한상화 wrote: > Dear all, > > > > Is there any way to make a disulfide between protein CysSH and GSH? Or > an interchain disulfide? Yes Mark ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please d