[gmx-users] make_edi
Chris Shaw
chrisbiochem at yahoo.co.uk
Sat Aug 7 18:45:56 CEST 2004
Hi everyone
Has anyone used make_edi to generate the input for mdrun? I see that a question was posted earlier today. There are various options in which the trajectory can be driven by eigenvectors, which ones do I use linfix, linacc, radfix, radacc? Then there is the steps and cycles. Furthermore, i cant get hold of the papers decribed in the information bit of make_edi ( i think just because they are old) and i cant find anything in the manual either. So, can anyone give me some pointers to what is what, and possible setting for the slope, stepsize bits
Thanks in advance
Chris
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