Dear Amber users,
Thanks to all for helps with saving of *.mdcrd.
I setted ntwxm=0 and got my trajectory.
But now I have same problem with *.mdvel.
I set
ntwv=100, ntwvm=0,
ntwx=100, ntwxm=0,
ntwe=100, ntwem=0,
And after simulation I have *.mdcrd and *.mden with all information
about trajectory and energy, but emty *.mdvel.
Any suggestion
thanks in advance!
--
Dipl.-Phys. Nikolai Smolin
Physikalische Chemie I
Universitaet Dortmund
Otto-Hahn-Str. 6
44221 Dortmund
Germany
Tel: +49 / 231 / 755 3929
Fax: +49 / 231 / 755 3901
E-mail: smolin_at_steak.chemie.uni-dortmund.de
Received on Wed May 22 2002 - 04:42:50 PDT
