[gmx-users] Solvent insertion analysis 2

[cfgauna at lab.cricyt.edu.ar]

Dear David:
Thanks a lot for your reply.
I am new using gromacs so please forgive me if i dont understand very well.
To make my .tpr file with 3.1.4 I have to run again my simulation but this
time with 3.1.4 version.  The problem is that I work with a box type
truncated octahedron and this is not supported by version 3.1.4.
Do I have to change my box type and run again the whole simulation or
there is an other way to make the .tpr file?
Thanks again.

Sincerely,

>
> cfgauna at lab.cricyt.edu.ar wrote:
>> Hi all:
>> I´m using gromacs version 3.3.2 and a box type truncated octahedron.
>> I need to analyze hydrogen bonds with solvent (water)insertion but -ins
>> option of g_hbond is broken... What should I do?
>> I´ve allready tried to analyze my trayectory file (maked with 3.3.2)
>> with
>> gromacs version 3.1.4 but this was the result:
>> Fatal error: reading tpx file (din1out.tpr) version 40 with version 24
>> programit didn´t work...
>>
>> Please send me any suggention!
>
> you need to make a tpr file with 3.1.4 as well, just for the analysis.
>>
>> Cecilia
>>
>>