[gmx-users] Error by pdb2gmx

[Dallas B. Warren]

Check consistency with other entries around it, easy way to check to see that you have the right format.

What did you edit the file with?

Catch ya,

Dr. Dallas Warren
Department of Pharmaceutical Biology and Pharmacology
Pharmacy and Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at pharm.monash.edu.au
+61 3 9903 9167
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 

> -----Original Message-----
> From: gmx-users-bounces at gromacs.org 
> [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Yanmei Song
> Sent: Thursday, 30 April 2009 9:07 AM
> To: jalemkul at vt.edu; Discussion list for GROMACS users
> Subject: Re: [gmx-users] Error by pdb2gmx
> 
> This is the new entry I added to the rtp file.
> 
> [ PDM ]
> 
> 
>  [ atoms ]
>     SI      SI              0.300     1
>    CH3    opls_069    0.000     1
>      O      opls_108   -0.300     1
> 
> 
>  [ bonds ]
>     SI     O       0.190    158805.0
>     SI   CH3     0.164    293160.0
> 
> 
>  [ dihedrals ]
>    CH3    SI    O    SI   3.77    3     0
>     SI     O   SI   CH3   3.77    3     0
>      O    SI    O    SI     3.77    3     0
> 
> 
> On Wed, Apr 29, 2009 at 3:57 PM, Justin A. Lemkul 
> <jalemkul at vt.edu> wrote:
> >
> >
> > Yanmei Song wrote:
> >
> >> -------------------------------------------------------
> >> Program pdb2gmx, VERSION 3.3.3
> >> Source code file: resall.c, line: 289
> >>
> >> Fatal error:
> >> in .rtp file at line:
> >>
> >>
> >> -------------------------------------------------------
> >
> > Well that's not a terribly helpful error message, is it? :)
> >
> > There is probably something wrong with the .rtp entry you 
> created.  If you
> > can post that, perhaps someone can spot it.
> >
> > -Justin
> >
> > --
> > ========================================
> >
> > Justin A. Lemkul
> > Ph.D. Candidate
> > ICTAS Doctoral Scholar
> > Department of Biochemistry
> > Virginia Tech
> > Blacksburg, VA
> > jalemkul[at]vt.edu | (540) 231-9080
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
> >
> > ========================================
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> 
> 
> 
> -- 
> Yanmei Song
> Department of Chemical Engineering
> ASU
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