Dear Dave,
I was asked not to start a new topic, I am assuming that means keep the
email chain with this email: amber.ambermd.org. Let me know if I am
incorrect.
The exact command I have been using is: prepgen -i NRQ.ac -o NRQ.prepin -m
NRQ.mc -rn NRQ
If I am correct, the ./configure options used were: ./configure gnu
When I try to use "prepgen -i NRQ.ac -o NRQ.prepin" it also seems like it
works, but it isn't referencing my .mc file, which is designating the
backbone. Whenever I use -m NRQ.mc, I definitely get the error talked about
prior.
Thank you.
-Miles
Please keep replies in the same thread rather than starting new topics (I
only say this because I've screwed up in the other direction, unwittingly
posting new threads in a previous topic).
When I run "prepgen -i NRQ.ac -o NRQ.prepin" I get NRQ.prepin with no seg
faults, although valgrind of that run reveals there is a memory error, an
invalid read, which definitely could cause a seg fault depending on your
compilation. Please post the ./configure options you used when building
Amber, and the exact command you used to run prepgen.
Thanks,
Dave
--
Sincerely,
Miles Taylor
Graduate Student
Physical Chemistry
Department of Chemistry
Oregon State University
Corvallis, OR 97331
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Received on Wed Nov 23 2016 - 08:00:05 PST
