AMBER Archive (2004)

Subject: AMBER: minimization problem

From: hj zou (hjzou_at_iris3.simm.ac.cn)
Date: Sat Sep 25 2004 - 04:30:11 CDT

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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