Dear Amber users,
I tried to optimize the average structure from a MD simulation with the
following min.in file:
&cntrl imin=1, ncyc=50, maxcyc=1000, ntb=1, ntr=1, ntx=1, scee=1.2,
ntpr=50,
&end
I got an error message as such:
s_rsfe: end of file -1
apparent state: unit 5 named min1.in
last format: (20A4)
Unit 5 is a sequential formatted external file
Could any of you tell me what is the program complain about and how I can
fix it? The sander I am using is parallel compiled on a R12000 machine.
In addition, I am a little confused by the request of a reference
structure when submitting the job without "-ref refCrd". Isn't "-ref refc"
an optional choice with AMBER6.0?
Thank you in advance.
Minmin
==============================================
Minmin Wang
Chemistry Department, Emory University
1515 Pierce Dr., Atlanta, GA 30322
Tel:404-7276631 Fax: 404-7276586
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Received on Tue Aug 29 2000 - 09:25:01 PDT
