AMBER Archive (2001)

Subject: question about mm-pbsa

From: Zhangxd (zhangxd_at_alien.biochem.wfubmc.edu)
Date: Mon May 07 2001 - 07:32:26 CDT

hi,

I want to use the mm-pbsa module to do calculation. Since I only have
non-standard residues which was built by XLEAP, the results say:

van der Waals parameter is not found for
ATOM 1 C14 PA1 1 4.103 -0.721 -1.568

although I added the parameters in atmtypenumbers file.

Thank you very much for your suggestion.

dong