Hi,
Can anybody tell me how can I generate arbitrary S-S bonds with gromacs? The
problem is that I have a protein and I want to specify some S-S bond between
two cysteine residues but they are not an options given by pdb2gmx -ss. Should
I touch topology file by hand? Why pdb2gmx do not recognizes automatically
SSBOND records in pdb files?
Regards,
C?sar.-
this is probably due to the bug in pdb2gmx. Sometime ago David fixed this
bug. Please search the list for more details.
Phuong
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