|
|||||||||||||||||||||||||||||||||
AMBER Archive (2000)Subject: one question
From: Zhangxd (zhangxd_at_alien.biochem.wfubmc.edu)
hi, AMBERs
when I perform the minimization of protein with maxcyc=2000 and ncyc=1000,
.... RESTARTED DUE TO LINMIN FAILURE ...
FINAL RESULTS
I want to know why it finishs at NSTEP=1114 rather than 2000?
Thank in advance!
zhang
| |||||||||||||||||||||||||||||||||
|