[gmx-users] grompp and box size
Justin A. Lemkul
jalemkul at vt.edu
Fri Aug 8 11:53:45 CEST 2008
prasun kumar wrote:
> hello users,
> this is the new error i am getting.Can any one help me in removing this
> error.
> the error is as follows
>
> The cut-off length is longer than half the shortest box vector or longer
> than the smallest box diagonal element. Increase the box size or
> decrease rvdw.
Read about the "minimum image convention," and then re-think your box size (the
one you set with editconf -d).
-Justin
>
> i tried by decreasing the value of rvdw,but its of no use........
> what to do,please help me
>
> regards
> PRASUN (ASHOKA)
>
>
> ------------------------------------------------------------------------
>
> _______________________________________________
> gmx-users mailing list gmx-users at 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
More information about the gromacs.org_gmx-users
mailing list