Saving it in the working directory should work fine..... I hope that you have
added the #include line in the right place within the topology file
Mohammed
> Date: Sun, 1 Feb 2009 16:49:17 +0530
> From: [email protected]
> To: [email protected]
> Subject: [gmx-users] Re: gmx-users Digest, Vol 58, Issue 2
>
> Dear Mohammed,
>
> Thanks for your reply.
> The .ITP file from the PRODRG server has saved as drg.itp and added "#include
> "drg.itp"" line in the topology file.
> still getting the same error.
>
> Where should I save the drg.itp file in the present working directory or
> share/top directory?
>
> Thanks,
> Aswathy
> Dept. Biotechnology
> Ext. 3108
>
> ----- Original Message -----
> From: [email protected]
> To: [email protected]
> Sent: Sunday, February 1, 2009 4:30:04 PM GMT +05:30 Chennai, Kolkata,
> Mumbai, New Delhi
> Subject: gmx-users Digest, Vol 58, Issue 2
>
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> 1. RE: IN4 molecule type error (Mohammed Kamal)
>
>
> ----------------------------------------------------------------------
>
> Message: 1
> Date: Sun, 1 Feb 2009 21:11:11 +1100
> From: Mohammed Kamal <[email protected]>
> Subject: RE: [gmx-users] IN4 molecule type error
> To: Gromacs <[email protected]>
> Message-ID: <[email protected]>
> Content-Type: text/plain; charset="iso-8859-1"
>
>
> You have to include the .itp file that you have obtained from PRODRG in the
> topology file. Be sure that you have changed the extension of the .itp file
> that you have obtained from the PRODRG server from .ITP to .itp!!
> Mohammed
>
> > Date: Fri, 30 Jan 2009 20:57:28 +0530
> > From: [email protected]
> > To: [email protected]
> > Subject: [gmx-users] IN4 molecule type error
> >
> > Dear Gromacs users,
> >
> > I am a new user of gromacs. I was trying the Enzyme- Drug complex tutorial
> > for a test run and i have ended up with following error. Please try to help
> > me
> >
> >
> > creating statusfile for 1 node...
> >
> > Back Off! I just backed up mdout.mdp to ./#mdout.mdp.90#
> > checking input for internal consistency...
> > calling /usr/bin/cpp...
> > TEST1/trp.top:12:9: error: #include expects "FILENAME" or <FILENAME>
> > cpp exit code: 256
> > Tried to execute: '/usr/bin/cpp -I/usr/local/gromacs/share/top -DFLEXIBLE
> > TEST1/trp.top > gromppVEFM2b'
> > The '/usr/bin/cpp' command is defined in the .mdp file
> > processing topology...
> > Generated 1284 of the 1485 non-bonded parameter combinations
> > Excluding 3 bonded neighbours for Protein_A 1
> > Cleaning up temporary file gromppVEFM2b
> > Fatal error: No such moleculetype IN4
> >
> > Can you please tell me what could be the reason for this? Please help me.
> >
> > Thanks in advance,
> >
> > Aswathy
> > Amrita School of Biotechnology
> > Dept. Biotechnology
> > Ext. 3108
> > _______________________________________________
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