Cesar Araujo wrote:
Hi,
Anybody knows if there is some way to tell pdb2gmx to
recognize automatically S-S bonds and not through the modification of
specbond.dat file and -ss option???
it does if they are within the normal distance. are your pdb files ok?
I want to force some disulphide bond and simulate the structure to compare
both (with and without the S-S bond). I was wondering if GROMACS can use
SSBOND in pdb files directly. I'm writing some scripts using Expect language
but at the moment I'm stucked with some TCL stuff.
Regards,
César.-
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
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
