[gmx-users] pdb file and force filed

Bhawana Gupta bhawana.gupta2010 at gmail.com
Thu Apr 9 06:47:41 CEST 2009

Hello sir,

>From last few days , i was using TINKER for implicit simulations using force
field oplsaa
Now for explicit one, i switched to gromacs version 4.0.But if i take pdb
file from tinker (molecular modelling software) and paste it in The Dundee
Prodrg server. i got my *.itp file, *.gro file.

But if i use force field as ffoplsaa or ffG43a1 or any other force field
except ffgmx. I always got error in atom type not found.

Tell me what to do.

Can i switch to gromacs older version i.e.3.3.1???

Whether i can use The Dundee Prodrg server for peptides having usual amino

With regards,
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