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
-- Anirban Ghosh wrote:
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,
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