('binary' encoding is not supported, stored as-is)
Hello, Amber:
I check the output file again, it does show the massage 'Could not find
cntrl namelist' and the input file. Sorry for the mess.
I don't know why sander could not find cntr1 namelist. Please help.
Bset regards
Bo Yang
The follows are the result from sander run:
------ start ----
guanine.20% sander -O -i test1amin.in -o test1amin.out -c
/home/spin/bybaker/model1-1.crd -p /home/spin/bybaker/model1-1.top -r
test1amin.rst
guanine.21% ls
Run1min.out model0.pdb run1min.in
built.lib model1-1.inpcrd test1amin.in
help model1-1.prmtop test1amin.out
leap. nuc.out test1min.in
leap.log out.min test1min.out
mdout polyAT_vac_init_min.out
guanine.23% ls
Run1min.out model0.pdb run1min.in
built.lib model1-1.inpcrd test1amin.in
help model1-1.prmtop test1amin.out
leap. nuc.out test1min.in
leap.log out.min test1min.out
mdout polyAT_vac_init_min.out
guanine.24% more test1amin.out
-------------------------------------------------------
Amber 7 SANDER Scripps/UCSF 2002
-------------------------------------------------------
| Thu May 27 13:37:43 2004
[-O]verwriting output
File Assignments:
| MDIN: test1amin.in
| MDOUT: test1amin.out
|INPCRD: /home/spin/bybaker/model1-1.crd
| PARM: /home/spin/bybaker/model1-1.top
|RESTRT: test1amin.rst
| REFC: refc
| MDVEL: mdvel
| MDEN: mden
| MDCRD: mdcrd
|MDINFO: mdinfo
|INPDIP: inpdip
|RSTDIP: rstdip
Here is the input file:
initial minimization test1a
&cntr1
imin=1
maxcyc=200
ntpr=5
/
Could not find cntrl namelist
----end----
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu May 27 2004 - 22:53:01 PDT
