[gmx-users] shell again
dikov at imbg.org.ua
Wed Oct 30 15:03:18 CET 2002
Tracing back a problem with option -shell ( Vol 1 #412) in genbox programm
I have found out that depending on the shell value I get different results.
I have used tried 0.3. and 0.15 nm shell and got very quickly (1 ns) two
distinct resulted conformations.
So I'm wondering how shell can influence the dynamics of a protein
Ph.D. Student Dmitry Kovalsky
Institute of Molecular Biology & Genetics
150 Akad. Zabolotnogo Street,
E-mail: dikov at imbg.org.ua
Fax: +380 (44) 266-0759
Tel.: +380 (44) 266-5589
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