VMD-L Mailing List

From: yp sun (sunyeping_at_yahoo.com.cn)
Date: Sat Apr 27 2013 - 19:43:24 CDT

Dear VMD users,   When you prepare the psf file for NAMD, do you retain the water in the orignal pdb file of the crystal structure? Is there any influence if these water are removed before the psf file preparation? Thanks.   Yeping Sun CAS Key Laboratory of Pathogenic Microbiology & Immunology INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china