[gmx-users] Error_message

[Yang Ye]

put an option -pp for grompp to get processed topology files and try to 
figure out why with help from manual.


On 7/5/2007 10:25 PM, pkmukher wrote:
> Hi,
>
>  I am trying to generate a .tpr file.I am getting the
> following error message (below). 
>
> Fatal error:
> There were 4 error(s) processing your input
>
> I could not understand what the error(s) were since nothing
> else was given.Is there some place where the details of the
> error will be listed so that i can rectify them.Thanks  
>
> Back Off! I just backed up mdout.mdp to ./#mdout.mdp.2#
> checking input for internal consistency...
> calling /usr/bin/cpp...
> processing topology...
> Generated 1284 of the 1485 non-bonded parameter combinations
> Excluding 3 bonded neighbours for Protein 1
> Excluding 3 bonded neighbours for IN4 1
> Excluding 2 bonded neighbours for SOL 4778
> NOTE:
>   System has non-zero total charge: 9.000002e+00
>
> processing coordinates...
> double-checking input for internal consistency...
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: grompp.c, line: 1109
>
> Fatal error:
> There were 4 error(s) processing your input
> -------------------------------------------------------
>
> "Encountered Subspace Anomaly" (Star Trek)
>
>
> Prasenjit Kumar Mukherjee
> Graduate Student
> Department of Medicinal Chemistry
> School of Pharmacy
> University of Mississippi
> USA
>
> Cell   - 662 380 0146
> Office - 662 915 1286 
>
>
>
>
>
>
>
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