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From: yp sun (sunyeping_at_yahoo.com.cn)
Date: Mon Dec 17 2012 - 00:26:58 CST
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Dear Sir/Madam,
I am a new user of NAMD. Currently I am runing NAMD on a protein. I got error message "ERROR: Constraint failure in RATTLE algorithm for atom 498!" when I do the Minimization and Equilibration steps. The attachment is my configure file? Would you check it for me? 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
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- application/octet-stream attachment: RI-10_wb_ion_eq1.conf
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