swati patel wrote:
hello,
I am trying to simulate streptavidin tetramer-biotin complex.I ve
calculated Ligand topology from a sofware PRODRG using gromos87 force
fields.After solvating it,I am getting an error using grompp command
Fatal error:
Atomtype HW not found
can anyone provide me some help?
The HW type is specific for the Gromos87 force field (i.e. gmx.ff in Gromacs),
so if you're getting this fatal error, you're somehow mixing and matching force
fields, likely between Gromos87 and Gromos96.
-Justin
--
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 listgmx-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
