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

aixintiankong aixintiankong at 126.com
Tue Apr 9 09:18:15 CEST 2013

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!

More information about the gromacs.org_gmx-users mailing list