[gmx-users] SS bond forcing

pithevenet at free.fr pithevenet at free.fr
Fri Apr 6 16:59:02 CEST 2012

Dear gmx users,

I try to use gmx to make some minimization. Unfortunatly, I have some SS bonds which are not formed in my PDB because the S-S atoms are too far away to connect to each other. I saw at that page : http://www.gromacs.org/Documentation/How-tos/Making_Disulfide_Bonds that it is possible to force GROMACS to make bonds with sulfur atoms by adding a distant constrains between the atoms.

But I didn't understand in which file it should be inserted and at which step. Can you help me?

Thank you,


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