Dear ,
Sorry to forget present the partial output information of the
constraint MD with amber7:
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
begin time read from input coords = 0.000 ps
Begin reading energy term weight changes/NMR restraints
WEIGHT CHANGES:
TEMP0 0 2500 0.000000 50.000000 0 0
TEMP0 2500 5000 50.000000 100.000000 0 0
TEMP0 7500 10000 150.000000 200.000000 0 0
TEMP0 10000 15000 200.000000 300.000000 0 0
TEMP0 15000 25000 300.000000 300.000000 0 0
RESTRAINTS:
No valid redirection requests found
** No restraint defined **
Done reading weight changes/NMR restraints
Number of triangulated 3-point waters found: 6022
Sum of charges from parm topology file = -0.00004039
Forcing neutrality...
--
Shulin Zhuang
Chemistry Department
Zhejiang University PRC
shulin.zhuang.gmail.com
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri May 13 2005 - 12:53:00 PDT
