[gmx-users] how to fix a position in the single eigenvector in essential dynamics sampling?
xi zhao
zhaoxiitc2002 at yahoo.com.cn
Fri Aug 1 05:32:17 CEST 2008
Dear users:
I want to know: in EDS (essential dynamics sampling), how to fix the eigenvector ,while the other degrees of freedom wiil be equilibrated. how to set up? using the :linfix" in make_edi ?
Please help me!
Thank you very much!
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