Dear Sir,
I was minimizing a complex and I got the following error "...
RESTARTED DUE TO LINMIN FAILURE ...". I was using these input
parameters:
minimise
&cntrl
imin=1,maxcyc=10000,ncyc=5000,
cut=10.0,ntb=1,
ntc=2,ntf=2,
ntpr=100,
ntr=1, restraintmask= ':1-455'
restraint_wt=10.0
/
Can you tell me the issue and a possible solution to this?
Regards,
Sumon Naskar
IIT Bombay, India
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Oct 23 2021 - 13:30:02 PDT
