[gmx-users] g_velacc problem
dommert at icp.uni-stuttgart.de
Thu Oct 14 14:22:52 CEST 2010
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On 10/14/2010 01:33 PM, Eudes Fileti wrote:
> Hi Florian, in fact I had already realized that it was possible
> to calculate the VACF without using the -m option (although this option
> was important for my calculations).
> I have not received any attachment, have you send me something?
> If necessary, please, send it to my email.
> Following your suggestions I changed the indicated lines and recompiled
> the program.
Berk fixed the problem in the git. So the fix will be included in the
next release and is already contained in the git release-branch I
assume. The attached file just contained a patch for the git but you do
not need it.
> Now I gotta get VACF! It's working fine even including the -m flag.
> Thank you.
> Eudes Eterno Fileti
> Física da Matéria Condensada
> Simulação Computacional de Nano-estruturas via Dinâmica Molecular
Institute for Computational Physics
EMail: dommert at icp.uni-stuttgart.de
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