[gmx-users] How to construct non-standard protein PDB file?

[Anton Feenstra]

Eva Stefanekova wrote:
> 
> My question is: "How to use Hyperchem 7.0 PDB (ENT) file in GROMACS? Is it
> even possible to convert Hyperchem 7.0 PDB file for use in GROMACS?"

If hyperchem writes a reasonably standard-formatted PDB file (even if
it is called 'ENT') pdb2gmx will be able to read it.
If not, you might get aroung by manually editing your .pdb (.ent) file
before giving it to pdb2gmx.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
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