Jones de Andrade wrote:
Hi Mark.
Thanks a lot, first of all. ;)
Unfortunatelly, the suggestion will not work: as you mentioned, there is
a limit for 256 molecules, and my systems are composed by at least 500.
Moreover, I still don't see any reason why the nexcl could affect the
bond, angle nd dihedrals energy outputs. :(
Neither do I.
Any other thoughts?
Simplify your system, and get it working for just two molecules.
Or you could actually read the manual - section 5.3.5 tells you two
different ways you might solve your problem immediately and elegantly.
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
