[gmx-users] editconf problem!!or rtp problem!!
feenstra at chem.vu.nl
Thu Feb 20 11:57:16 CET 2003
David van der Spoel wrote:
> On Thu, 2003-02-20 at 11:40, Anton Feenstra wrote:
> > nanyu101 wrote:
> > >
> > > Dear gmx-users,
> > > I have tried to make a hole on popc128a.pdb that was downloaded
> > > from Dr.Tieleman's web,I just run editconf -f popc128a.pdb -o popc.gro.
> > > And then I run editconf -f popc.gro -o popc.pdb.When I viewed the
> > > popc.pdb,the structure was destroyed,I think that my rtp file of
> > > popc is wrong.rtp file was created myself in Gromos96 43a2x.Do you
> > > have a rtp file for popc?
> > Are the atoms in your .pdb/.gro file in the same order as those in the .rtp?
> Editconf does not use the rtp file at all...
Ah, I misread the problem. So you do a .pdb -> .gro -> .pdb conversion
using only editconf? If so, what do you mean by 'destroyed'? Are there
bonds missing? That is probably a problem of your viewer.
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|( | )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/ |
| | "I'm Not Gonna Die Here !" (Sphere) |
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