ut the 1200% usage suggests you probably are.
>
> -Justin
>
> --
> ============
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.
//lists.gromacs.org/mailman/listinfo/gmx-users
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>
, etc to 2.0;
> >> change T-coupling to v-scale, and eliminate P-coupling). When I
> >> increased the distance cutoffs, it ran about 30 ps then crashed
> >> instead of crashing immediately. Only when I also turned off
> >> P-coupling did it keep running long-
ote:
> >
> >
> > Joshua L. Phillips wrote:
> >> I've found that I often get LINCS warnings like this when starting from
> >> highly extended conformations when using implicit solvent. The GBSA
> >> surface tension combined with the lack of viscosity (
r and the simulation box can explode; I don't know if this
> > is such a big deal with implicit, but it can't hurt to try.
> >
> >> tc-grps = System
> >> tau_t= 0.4
> >> ref_t= 300.0
> &g
=
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Person
e list. Use the
> www interface or send it to gmx-users-requ...@gromacs.org.
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--
Joshua L. Phillips
Ph.D. Candidate - School of Engineering
University of California, Merced
jphilli...@ucmerced.edu
--
gmx-users mailing list
lib test.cpp -o test -lxdrfile
-- Josh
On Fri, 2011-05-06 at 22:22 -0700, Joshua L. Phillips wrote:
> You will need to link with the library as well (-lxdrfile)
>
> Something like the following should work (if the paths that you provided
> are correct):
>
> icpc -I$HOME/apps/xdrfile
nd
> > linking to few other random places but, like I said, this stuff (installing
> > libraries and linking) is new to me.
> > Please help.
>
> icc -I$HOME/apps/xdrfile/include/xdrfile test.cpp
>
> will find $HOME/apps/xdrfile/include/xdrfile/xdrfile_xtc.h
>
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