>
>
>
> Hi!,
>
I mean the page
http://www.gromacs.org/Downloads/User_contributions/Force_fields
has
a amber14sb.ff.tar.gz amber14sb_OL15.ff_corrected-Na-cation-params.tar.gz
but at the top of the page it is a warning that say "These force fields are
provided by volunteer contributors on an as-is
Dear Prof. Van der Spoel,
Thank you for the quick reply. I just found that it works with 8, 16, 32, 64
and 128 threads but not 176 threads.
Best,
Rolly Ng
-邮件原件-
发件人: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
代表 David van der Spoel
发送时间: 2020年3月8日星期日 上午12:47
收件人:
Den 2020-03-07 kl. 17:04, skrev Rolly Ng:
Dear Gromacs developers,
I am new to Gromacs and I have recently compiled Gromacs 2020.
I tried to run the ADH benchmarks from
ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz
The adh_cubic and adh_dodec completed
Dear Gromacs developers,
I am new to Gromacs and I have recently compiled Gromacs 2020.
I tried to run the ADH benchmarks from
ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz
The adh_cubic and adh_dodec completed successfully, but the adh_cubic_vsites
and
Dear Gromacs developers,
I am new to Gromacs and I have recently compiled Gromacs 2020.
I tried to run the ADH benchmarks from
ftp://ftp.gromacs.org/pub/benchmarks/ADH_bench_systems.tar.gz
The adh_cubic and adh_dodec completed successfully, but the adh_cubic_vsites
and
Hi
I was running water on graphene using PBC =xy by keeping the graphene
fixed in y direction.
It was running in gromacs version 4.6 but failed to run in 5.1.2.
This is the error.
Back Off! I just backed up mdout.mdp to ./#mdout.mdp.12#
ERROR 1 [file nvt.mdp]:
With Verlet lists only full pbc
