On 1/4/11 3:16 PM, Francesco Oteri wrote:
Maybe the used force-field is wrong.
mdrun-gpu is able to use the AMBER forcefield, but it is not possible
using gromos force-field.
When gromos force-field is used, the output is full of NaN
Is that the case?
mdrun should complain and exit if the FF isn't supported.
Rossen
--
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
