[gmx-users] Hi
XAvier Periole
x.periole at rug.nl
Tue Dec 15 10:03:29 CET 2009
try the option -ignh, it will ignore the the hydrogen atoms in your
pdb file and generate the ones necessary to the force field you choose.
On Dec 15, 2009, at 9:52 AM, ashish pandey wrote:
> Dear all,
> my self ashish and i am trying to dynamics using gromacs.
> i am new in these field. in the time of running Pdb2gmx to create .gro
> file. i am geting these error.
>
> Fatal error:
> Atom HA in residue MET 1 not found in rtp entry with 9 atoms
>
> please help me sortout these problem.
>
> --
> Ashish Pandey
> NIPER India
> --
> gmx-users mailing list gmx-users at gromacs.org
> http://lists.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
More information about the gromacs.org_gmx-users
mailing list