Sonali wrote:
hi everybody,
i have run simulation with gromacs for 10,00,000 iterations and have
obtained all the specified output .xvg files
while comparing and analysing the potential energy .xvg fil eand rms
.xvg file i found that thare is minimal fluctuation between the range og
1870 to 1925 ps now while trying to obtain an average running structure
using the tool g_covar in between this range i am getting the following
error,
Calculating the average structure ...
Reading frame 0 time 0.000
-------------------------------------------------------
Program g_covar_mpi, VERSION 3.3.1
Source code file: trxio.c, line: 635
Fatal error:
Specified frame doesn't exist or file not seekable
-------------------------------------------------------
any suggestions would be highly appreciated.
this is a bug that has been fixed in the development version.
------------------------------------------------------------------------
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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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