AMBER Archive (2003)

Subject: Using GLYCAM in sander with a non-zero 10-12 coefficient

From: Peng Tao (ptao_at_chemistry.ohio-state.edu)
Date: Wed May 14 2003 - 13:54:32 CDT

Dear all,

I used GLYCAM2000 force field in sander. In output file the last four
lines are:
 Found a non-zero 10-12 coefficient, but source
  was not compiled with -DHAS_10_12.
 If you are using a pre-1994 force field, you
  will need to re-compile with this flag.

The administrator at computer center re-compiled sander with flag
-DHAS_10_12.
 But the output file remained the same. Meanwhile I run a test job with
ff86 force field in AMBER on a protein.
The program compiled with flag -DHAS_10_12 did pass the parameter check,
while the previous sander generated
the same last four lines in .out file.

It seems that GLYCAM force field has some strage parameters to sander.
Anyone has met this problem
before can help me, or I need to give up GLYCAM in sander?

Thanks a lot.

Yours Sincerely,
Peng Tao

Chemistry Department
The Ohio State University