[gmx-developers] MTTK Pressure Coupling

David van der Spoel spoel at xray.bmc.uu.se
Wed Mar 30 11:56:51 CEST 2011


Does it work at all in the release branch?

I get a SEGV due to Qinv in the below structure being accessed:

(gdb) p *MassQ
$1 = {Qinv = 0x0, QPinv = 0x0, Winv = 0.011614344934256032, Winvm = {{
       0.00465625431, 0, 0}, {0, 0.00465625431, 0}, {0, 0, 0.00465625431}}}


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se



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