[gmx-users] Re: gro to pdb

[David van der Spoel]

Dhananjay wrote:
> Hello all,
> 
> When I tried:      trcjonv -f your.gro -o your.pdb

editconf

please read the manual.

> 
> I got following error:      Fatal error: File topol.tpr not found
> 
> When I tried :      editconf -f *.gro -o *.pdb
> 
> I got the error as follows:
> 
> Warning: Number of atoms in prime_b4pr.gro is 0
> Fatal error: gro file contains more atoms (1075423546) than expected (0)
> 
> When I tried this :    trjconv -s file.gro -o file.pdb -s topol.tpr
> 
> the error I got is :       Fatal error: Double command line argument -s
> 
> Can anybody tell me what is wrong here ?
> 
> 
> 
> On 1/9/06, Farid Sa'adedin <fsaadedi at staffmail.ed.ac.uk> wrote:
> 
>>Quoting Dhananjay <dhananjay.c.joshi at gmail.com>:
>>
>>
>>>How to convert .gro file to .pdb file ?
>>>
>>
>>editconf -f *.gro -o *.pdb
>>
>>
>>
>>Farid Sa'adedin
>>Membrane Biophysics Laboratory
>>Department of Veterinary Biomedical Sciences
>>College of Medicine & Veterinary Medicine
>>Royal (Dick) School of Veterinary Studies
>>University of Edinburgh
>>Summerhall
>>Edinburgh EH9 1QH
>>SCOTLAND
>>
>>
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> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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