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.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
>
>
-----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to
> majordomo.scripps.edu
>
__________________________________
Do you Yahoo!?
New and Improved Yahoo! Mail - Send 10MB messages!
http://promotions.yahoo.com/new_mail
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jun 15 2004 - 23:53:00 PDT
