AMBER Archive (2004)

Subject: AMBER: anisotropic scaling

From: Xiang, Tian-Xiang (txian2_at_email.uky.edu)
Date: Tue Jul 13 2004 - 14:12:32 CDT


Hi Everyone:

The use of ntp = 2 for anisotropic pressure scaling in a Sander run lead
to the following error:

"NTP ( 2) must NOT be 2.
 
      Non-isotropic scaling is currently NOT supported.
     Use NTP of 0 or 1"

The manual does not say that this is NOT supported. What's another way
to do anisotropic pressure scaling for a membrane system?

Thanks for any input.

 

Tian-Xiang

College of Pharmacy
Univ. of Kentucky

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