[EMAIL PROTECTED] wrote:
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.
You do *not* have to rerun the simulation, just make the tpr file. Then
run the analysis based on the existing trajectory.
Sincerely,
[EMAIL PROTECTED] 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
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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