[gmx-users] editconf problem!!or rtp problem!!

Anton Feenstra feenstra at chem.vu.nl
Thu Feb 20 11:40:57 CET 2003


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?


-- 
Groetjes,

Anton
 _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| 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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