Hi All,
I want to perform ED sampling along first principle
component in GROMACS. For that I am using the make_edi
command to generate the required .edi file to be
subsequently used in mdrun. But I cannot understand
the meaning of the algorithms -linfix, -linacc,
-radfix, -radacc and -radcon. What does fixed step
linear expansion and fixed step radius expansion
specify here? How should I give the string options for
these algorithms and which one should I use? I shall
be glad if you can briefly explain the meaning of
these algorithms. Looking forward to your replying.
Regards,
Anirban Ghosh
M.Tech Bioinformatics
University of Hyderabad
Hyderabad - 500 046
Andhra Pradesh
India
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