editconf -f *.gro -o *.pdb<br>
trjconv -f *.trr -s *.tpr -o *.pdb <br>
<br>
Make sure * resembles to the appropriate file names you have.<br>
Either one should work.<br>
<br>
Cheers,<br><br><div><span class="gmail_quote">On 1/10/06, <b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dhananjay wrote:<br>> Hello all,<br>><br>> When I tried: trcjonv -f your.gro -o your.pdb<br><br>editconf<br><br>please read the manual.<br><br>><br>> I got following error: Fatal error: File topol.tpr
not found<br>><br>> When I tried : editconf -f *.gro -o *.pdb<br>><br>> I got the error as follows:<br>><br>> Warning: Number of atoms in prime_b4pr.gro is 0<br>> Fatal error: gro file contains more atoms (1075423546) than expected (0)
<br>><br>> When I tried this : trjconv -s file.gro -o file.pdb -s topol.tpr<br>><br>> the error I got is : Fatal error: Double command line argument -s<br>><br>> Can anybody tell me what is wrong here ?
<br>><br>><br>><br>> On 1/9/06, Farid Sa'adedin <<a href="mailto:fsaadedi@staffmail.ed.ac.uk">fsaadedi@staffmail.ed.ac.uk</a>> wrote:<br>><br>>>Quoting Dhananjay <<a href="mailto:dhananjay.c.joshi@gmail.com">
dhananjay.c.joshi@gmail.com</a>>:<br>>><br>>><br>>>>How to convert .gro file to .pdb file ?<br>>>><br>>><br>>>editconf -f *.gro -o *.pdb<br>>><br>>><br>>><br>
>>Farid Sa'adedin<br>>>Membrane Biophysics Laboratory<br>>>Department of Veterinary Biomedical Sciences<br>>>College of Medicine & Veterinary Medicine<br>>>Royal (Dick) School of Veterinary Studies
<br>>>University of Edinburgh<br>>>Summerhall<br>>>Edinburgh EH9 1QH<br>>>SCOTLAND<br>>><br>>><br>>>_______________________________________________<br>>>gmx-users mailing list
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br>Dept. of Cell and Molecular Biology, Uppsala University.<br>Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>phone: 46 18 471 4205 fax: 46 18 511 755
<br><a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a> <a href="http://xray.bmc.uu.se/~spoel">http://xray.bmc.uu.se/~spoel</a><br>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
<br>_______________________________________________<br>gmx-users mailing list<br><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users
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<br>-- <br>Viswanadham Sridhara,<br>Graduate Research Assistant,<br>Old Dominion University, "VIRGINIA".<br>