AMBER Archive (1999)

Subject: Input for 10-12 potential parameters.

From: Margaret Cheung (cheung_at_physics.ucsd.edu)
Date: Mon Nov 29 1999 - 16:41:34 CST

Dear amber users,

I encounter problems in declaring variables regarding KT1 and KT2
in the input file for the option of adding 10-12 potential parameters.

In the parm comment, I editted the frcfld(unit 10) input file
for the 10-12 potential option as the following,

 
  AT BZ 38539.14 127828.65
  AT CA 44308.00 151120.85

However, in the output file (unit 6), they turn out to be some values
that lost the sixth digit.

  AT BZ 38539.1 27828.7
  AT CA 44308.0 51120.8

Could you please help me how to fix this problem and remind
me of additional modification that may associate with the change?

Thank you very much!

Regards,
Margaret Cheung