Sagittarius wrote:
Dear Gromacs users,
Could you please help me to find out what the problem is.
Curiously enough, pdb2gmx is telling you want the problem is.
I use command
pdb2gmx -f C:\Soft\Gromacs\Input\formaldehyde.pdb -o outputName.gro -p
outputName.top
Fatal error:
Residue 'UNK' not found in residue topology database
pdb2gmx can only generate topologies from structural monomers it know
about - UNK isn't one of their names. Please read chapter 5 of the
GROMACS manual and try again.
Mark
_______________________________________________
gmx-users mailing list gmx-users@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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php