[gmx-users] disulfate bond between 2 chains

Ming Tang m21.tang at qut.edu.au
Wed Apr 20 11:20:28 CEST 2016

Dear list,

Is there anybody who generated the disulfate bonds between 2 different chains? I used -chainsep but did not get what I want. If I choose -chainsep interactive (n), it will generate the disulfate bond between 2 chains (only after enlarge the bond distance in specbond.dat), but I just came across one C and one N-terminal option, which is not correct. It seems that pdb2gmx use this disulfate bond to connect 2 chains into one.


More information about the gromacs.org_gmx-users mailing list