[gmx-users] Question

[Mark Abraham]

On 6/01/2011 8:28 PM, Thomas Koller wrote:
> Hello,
>
> running grompp gives me this error:
>
> Program grompp, VERSION 4.0.7
> Source code file: ../../../../src/kernel/convparm.c, line: 325
>
> Fatal error:
> unknown function type 20 in ../../../../src/kernel/convparm.c line 326
>
> The two lines 325 and 326 of convparm.c are:
> break;
>    case F_VSITE2:

Not in gromacs-4.0.7. You're looking at a different code version from 
that which is being executed.

However that doesn't explain how the error is arising. My suspicion is 
that you might be running afoul of a dynamic linking mismatch between 
multiple GROMACS versions. Is this plausible?

Mark