[gmx-users] pdb file format

[Anton Feenstra]

Nuno R. L. Ferreira wrote:

> Hi 
> 
> 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]'.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
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