Dear Amber Users!!
I am running a MD simulation with sander and after 1,5 ns the
calculation stops with the error message
COORDINATE RESETTING (SHAKE) WAS NOT ACCOMPLISHED WITHIN 3000
ITERATIONS!!
I am not sure wheter this is a Computer problem because the error occurs
after updating redhat.6 to redhat.6.2
Perhaps someone has the same problem and solved it!!!
Thanks
Bernd Wellenzohn
Received on Thu Apr 27 2000 - 01:38:22 PDT
