[gmx-users] micelle clustering

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jul 1 08:09:32 CEST 2011

On 1/07/2011 3:35 PM, sulatha M. S wrote:
> Hi Tsjerk,
> I installed gromacs myself. I put the modified gmx_trjconv.c code in 
> the /src/tools subdirectory where the source code is located and tried 
> the command
> make trjconv
> But it gives me a series of error messages, as given below.

They're all mismatches because of changes between 4.0.7 and 4.5.4

> My gromacs version is 4.0.7. I would like to continue in this version 
> till I finish the set of runs which I have been doing before moving 
> into 4.5.4 version. or else can I do the analysis alone in gromacs 
> 4.5.4 with the xtc files generated from 4.0.7 version?

Do that. The file formats are unchanged.


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