AMBER Archive (2001)

Subject: question about mm-pbsa

From: Zhangxd (zhangxd_at_alien.biochem.wfubmc.edu)
Date: Wed May 02 2001 - 15:02:50 CDT


hi,

After I finished the MD of protein, I do calculation with MM_PBSA. It say
that :

charge parameter is not found for:
ATOM 851 Cl- Cl- 53 2.978 0.845 -6.259

and exit. the Cl- is added by Tleap. How to do this? Thank in advance!