[gmx-users] RE: dPCA

Mu Yuguang (Dr) YGMu at ntu.edu.sg
Thu Oct 20 02:49:49 CEST 2005


Dear Gia,
Here send you the detailed input readme file ( also upload to gromacs
website).
I use g_rama to calculate the backbone phi and psi, then use awk or perl
to transform these output data to a trajectory file used for the dPCA
code.

Dr. Yuguang Mu
Division of Structural and Computational Biology
School of Biological Sciences
Nanyang Technological University
60 Nanyang Drive 
Singapore 637551
Tel: 63162885
Fax: 67913856
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