Hello,
I am trying to do a minimization of methane with the min.interf file
provided on the AMBER website in the tutorial section. My min1.inp file is
generated but that's all that happens. I am including the min.interf file and
the min1.inp file that interface generated. The error message I get is
AMBER/Interface front-end template (v 6) read
Minimization selected
Time-limit = 999999. (default)
Free start (default)
No belly used (default)
No modified charges for DNA end H's (default)
No polarization used (default)
Final coord/veloc. written formatted (default)
Random number seed = 71277 used (default)
TEMPI set to 0.0 (default)
HEAT set to 0.0 (default)
No Periodic Boundary Conditions (default)
IFTRES set to 1 (default)
Number of runs [NRUN] set to 0 (default)
Using NTT=1, constant temp. dynamics (default)
DTEMP set to 999. (default)
TAUTS set equal to TAUTP (default)
COMP set to 44.6 (default)
No initial center of mass removal (default)
NSCM set to 0 (default)
No SHAKE will be used (default)
Use default pairlist generation behavior
IMGSLT = 0 (default)
No coordinate archive file written
No velocity archive file written
No energy archive file written
No position restraints (default)
No CAP will be used.
namelist read: variable not in namelist
apparent state: unit 5 named min1.inp
last format: list io
lately reading sequential formatted external IO
Any help would be appreciated
Sophia Kondratova
Biochemistry Graduate Student
University of New Brunswick
Fredericton, Canada
Sophia Kondratova
Biochemistry Graduate Student
University of New Brunswick
Fredericton, Canada
Attachment Converted: "c:\eudora\attach\min.interf"
Attachment Converted: "c:\eudora\attach\min1.inp"
Received on Wed Oct 24 2001 - 07:17:36 PDT
