[gmx-users] how to split the disulfide bonds in CYSH?

2013-04-09 Thread aixintiankong
Dear, In my system ,there are many disulfide bonds in my protein. i want to split these disulfide bonds to CYSH. I use these command, pdb2gmx -ignh -f 1AKI.pdb -o 110.pdb -p 110.top -water spce -ss ,but i get the CYS2. please help me ,thank you very much! -- gmx-users mailing list

Re: [gmx-users] how to split the disulfide bonds in CYSH?

2013-04-09 Thread Justin Lemkul
On Tue, Apr 9, 2013 at 3:18 AM, aixintiankong aixintiank...@126.com wrote: Dear, In my system ,there are many disulfide bonds in my protein. i want to split these disulfide bonds to CYSH. I use these command, pdb2gmx -ignh -f 1AKI.pdb -o 110.pdb -p 110.top -water spce -ss ,but i get the