Well, the log file says that the protocol is dying even before it
starts the MD...so it stops right after it says
'Initializing LINear Constraint Solver'
after which it displays the segmentation fault.
Thanks
Ashutosh
On Mar 6, 2006, at 1:30 PM, Mark Abraham wrote:
Ashutosh Jogalekar wrote:
Hello everyone
I am doing MD on a peptide, and everything including the EM seems
to go well. When I start to do the position restrained MD (or
even directly the MD without doing the PR MD), I get a
"Segmentation fault". I know that this is a generic error and
cannot point directly to a specific source for the problem; on
the other hand, there must be some specific source. So I was
wondering whether anyone else has fixed this problem in a
particular manner. I checked my input and everything seems to be
ok at first sight.
gromacs is normally quite graceful about dying and telling you
where it is dying, and sometimes why. You will need to provide the
last section of the .log file.
Mark
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