AMBER Archive (2004)

Subject: AMBER: The parallel problem for umbrella sampling in Amber 8

From: Yuhui Cheng (amberuser3_at_yahoo.com)
Date: Tue Jun 15 2004 - 16:14:07 CDT

Hi, David,
    Thanks. I get it. But I found that the parallel
calculation doesn't work for umbrell sampling,
although common MD simulation works fine. What's the
problem?
The error message always shows: "p0_4605: p4_error:
interrupt SIGSEGV: 11" Need I recompile the source
code?

Thanks,
Yuhui

--- "David A. Case" <case_at_scripps.edu> wrote:
> On Mon, Jun 14, 2004, Yuhui Cheng wrote:
>
> > Would you please tell me whether Amber 8 can
> do
> > umbrella sampling with two dihedral angles at the
> same
> > time? I didn't find any explanation from the
> manual.
> >
> This should not be a problem. Just put two
> restraint terms in your
> RST file (see p. 138 of the Users' Manual).
>
> ....dac
>
>
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