AMBER Archive (2005)

Subject: AMBER: about run time in GB and PB

From: Yong Xu (yxu_at_mail.sioc.ac.cn)
Date: Thu Apr 21 2005 - 03:06:27 CDT

Dear all

I found that on my computer, time used for running GB_MD with com.pdb (protein+ligand = 2700 atoms) is almost same as the time used for running PB_MD with com_water.pdb (protein + ligand + water = 34000 atoms)
is this phenomenon normal?
        

Best regard!

Yong Xu
yxu_at_mail.sioc.ac.cn
2005-04-21

===========================================================
* Yong Xu
* State Key Lab of Bioorganic & Natural Product Chemistry
* Shanghai Institute of Organic Chemistry
* Chinese Academy of Science
           
* 354 Feng Lin Road, Xu Hui District
* Shanghai, 200032, China
        
* Email: yxu_at_mail.sioc.ac.cn
* xuyongch_at_yahoo.com
===========================================================

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu