[gmx-users] pdb file format
feenstra at chem.vu.nl
Tue Feb 10 08:45:01 CET 2004
Nuno R. L. Ferreira wrote:
> Suppose you meant pdb and not pdf.
> Do you have already the topology for your molecule?
> If not, go to PRODRG and build your topology first. Then change the resname to your own choice. Proceed to pdb2gmx.
If you don't have a protein, DNA or similar (bio)polymer, you do not
need pdb2gmx at all, and you will be better off without it.
You will then only need to '#include' your .itp files into a .top
file, and specify which '[molecules]' you have in your '[system]'.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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