[gmx-users] Error by pdb2gmx

[Yanmei Song]

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