AMBER Archive (2003)

Subject: Q) vdw radii & GBSA error

From: Sukjoon Yoon (yoonsu_at_UMDNJ.EDU)
Date: Fri Jun 06 2003 - 11:58:03 CDT

Hi,

Could anybody tell me where the vdw radii information for AMBER forcefield
is located? I just want to compre them with those of other docking
softwares. We have AMBER7.

The other question is,
In the Bugfix7 for AMBER7 (to avod "Bad atom type" error in GBSA), atom type
"F" is not included. However, actually F is defined in gaff. So can I just
add several lines for "F" in the same fashion as the others in the Bugfix7?

Thank you in advance for your help.

Sukjoon Yoon
Pharmacology,
UMDNJ, New Jersey