On Fri, Sep 5, 2014 at 11:24 PM, Mirco Wahab
mirco.wa...@chemie.tu-freiberg.de wrote:
I've run into a problem with an older card (GTX-580)
which is CC 2.0. On a larger box size, mdrun stops
with:
Fatal error:
Watch out, the input system is too large to simulate!
The number of
Thank you Mark and Szilard for your replies. It gave more clarity on how
the new gromacs works,
especially in greater support for streamed computing.
I hope David's problem is sorted too. :)
Thanks again,
Regards,
Abhishek Acharya
On Fri, Sep 5, 2014 at 10:45 PM, Szilárd Páll
Hi,
On Sep 3, 2014 11:32 PM, Bin Liu fdusuperstr...@gmail.com wrote:
Thank you for your explanation. Now I understand why the first selection
gives more residues as it's simply a superset of the second selection. I
just realized to accomplish what I initially want, i.e., to obtain the
residue
Hi All,
I would like to compute the SCD parameters of the DOPC sn1 and sn2 chains
in membrane simulated with the CHARMM36 force field with gmx order tool
of GMX5.0. To know how to do that, I have searched on the mailing list and
came across the thread of T. Piggot about problems with g_order and
