Dear All,
I have a problem using AmberTools 1.5 to generate the top and coor files,
and do simulations using NAMD. The problem is that NAMD 2.7 fails to read
the top file. However, when I used the top file generated by an old version
of amberTools 1.2, I have no such problem. NAMD can read the top file
without problems.
It looks that AmberTools 1.5 is writing top files in slightly different way,
than previous versions so that NAMD cannot properly read the top file.
Can anyone tell me if the formats for top and coor files are the same in
all versions? or this is a bug? Are there any document that explain this
variation in formats?
Thanks so much for your help
--
cheers
Molybdos Kirkimpolakis
Πανεπιστήμιο Πατρών <http://www.biology.upatras.gr>
ΤΜΗΜΑ ΒΙΟΛΟΓΙΑΣ
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 03 2011 - 15:30:03 PDT
