Dear amber users,
When I want to minimize a liand with water,it doesnot work.The following is the part of output information.
3. ATOMIC COORDINATES AND VELOCITIES
--------------------------------------------------------------------------------
MOL
begin time read from input coords = 0.000 ps
| Reorder water Setup:
| ----- Reordering water will NOT be done
| Does not work with minimization
|
Number of triangulated 3-point waters found: 4220
can anyone give me some suggestions?
Thank you in advance.
hjzou
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Received on Sat Sep 25 2004 - 10:53:00 PDT
