[gmx-users] Re: problem generating topology file with pdb2gmx

[badisa at CLEMSON.EDU]

Hi David,
i've tried running the -debug option and all i get is one line stating

"sgl_pdb2gmx197.log (this file) opened in file statutil.c, line 658."

also the forcefield is oplsaa, i just renamed it to suit the naming scheme
for my topology files.

thanks
dele


> >    3. Re: problem generating topology file with pdb2gmx
>       (David van der Spoel)
>
> Message: 3
> Date: Wed, 09 Jun 2004 09:29:01 +0200
> From: David van der Spoel <spoel at xray.bmc.uu.se>
> Subject: Re: [gmx-users] problem generating topology file with pdb2gmx
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <1086766141.30488.6.camel at localhost.localdomain>
> Content-Type: text/plain
>
> On Wed, 2004-06-09 at 01:30, Bamidele Adisa wrote:
>> i'm trying to generate a topology file using pdb2gmx and the program
>> just stops after opening the .atp file as shown below
>>
>> Using ffdeleopls force field
>> Opening library file
>> /usr/local/gromacs-3.1.4-mpi-sgl/share/top/ffdeleopls.atp
>> Atomtype 697
> run with -debug and check the pdb2gmx.log file.
> by the way that is not an "official" force field
>>
>> nothing happens next...
>>
>> could someone be of help?
>> thanks
>> dele
>>
>>
>>
>>
>> ______________________
>> Bamidele Adisa
>> Dept of Chemical Engineering
>> Clemson University
>> Clemson, SC 29634-0909
>> 864-654-0586
>> ______________________
>>
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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
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
>
>
>
> ------------------------------
>