AMBER Archive (2009)

Subject: [AMBER] question of mm_pbsa

From: 廖青华 (fantastic_0919_at_yahoo.com.cn)
Date: Thu Jul 09 2009 - 20:49:40 CDT

Hi amber users, When I used mm_pbsa of amber10 to calculate the binding energy, everything went correctly, but finally I couldn't get the file of statistics.out. When I check the log file, I found that there were some warnings when reading the complex_all.out file, just like this:     WARNING: Missing PB for PB in 0 -> Taken from -1     WARNING: Missing PBCAV for PB in 0 -> Taken from -1     WARNING: Missing PBDIS for PB in 0 -> Taken from -1     WARNING: Missing SURF for MS in 0 -> Taken from -1     WARNING: Missing PB for PB in 1 -> Taken from 0     WARNING: Missing PBCAV for PB in 1 -> Taken from 0     WARNING: Missing PBDIS for PB in 1 -> Taken from 0     WARNING: Missing SURF for MS in 1 -> Taken from 0     WARNING: Missing PBCAV for PB in 96 -> Taken from 95     WARNING: Missing PBDIS for PB in 96 -> Taken from 95     WARNING: Missing SURF for MS in 96 -> Taken from 95  The attachment files are input and output files for you to check. Does anybody know the reasons for this situation and the solutions? Any resonse will be highly appreciated! Qinghua Liao fantastic_0919_at_yahoo.com.cn or fantasticqhl_at_yahoo.com ___________________________________________________________ 好玩贺卡等你发，邮箱贺卡全新上线！ http://card.mail.cn.yahoo.com/






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