X Rules wrote:
I am having problems with grompp with my system.
I am using Gromacs 4.5.3
FF = Charmm27 beta
WT = TIP3P (recommended and its claimed its not too different than
Charmms TIP3P)
during minimization with pbc, I get the error about box length being
small if I add neutralizing ions (I do not get this error in just
water+protein system).
Providing your actual sequence of commands, .mdp file(s), and the actual
(quoted) error message is the only way to diagnose what's going on.
Also I have tried increasing my box length upto a cube of 40 Angstroms
and still get the error ( I have a tiny 50 residue protein).
IS IT A BUG or I am doing something wrong.
You're probably doing something wrong, but it's impossible to say what. Please
provide more detail.
-Justin
I can add more information if needed.
Thanks,
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
