spoel at xray.bmc.uu.se
Fri Jun 6 16:52:14 CEST 2003
On Fri, 2003-06-06 at 19:47, Daniele Bemporad wrote:
> Hi all
> Can anybody please explain me or tell me where I can find an explanation
> for the variable "fr->fshift[*]" (with *=t1,t2,t3,CENTRAL) in subroutines
> "do_dih_fup" and "angles" in file bondfree.c ? And an explanation for its
> arguments t1,t2,t3,CENTRAL ?
there's a bit of an explanation in the appendix of the manual.
> Thank you very much
> Daniele Bemporad
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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
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