Naser, Md Abu wrote:
Hi Mark,
The reacton shuld occur as: R-S-S-R + 2H+ -----> 2R-SH.
So at the very least, your "after" topology will need to have these
hydrogens... You can't just cleave the S-S bond out of the .top and
expect it to work.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php