Hi All,
So, my guess of the problem is that the same random number seed is being
used but for the restrt it is going back to the beginning of the random
number stream instead of starting at the correct number of steps into the
random number stream. If this is indeed the case it needs fixing because
otherwise you will start introducing correlated motion in temperature
changes if you do lots of restarts.
In some way I guess the position in the random number stream needs to be
saved as part of the restart file and read back in for a restart. Perhaps
this should be added to the end of a restart file so that it doesn't break
any of the other implementations for reading restrt files.
Let me know what you think...
All the best
Ross
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
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http://www.rosswalker.co.uk/ | PGP Key available on request |
Received on Wed Apr 05 2006 - 23:49:59 PDT
