When starting xleap I could not see xleap executable file in following
directory
/home/ssa/amber10/exe
While In the following directory
/usr/local/amber11/exe
I found xleap but it is not running and giving error
Error: you must set the AMBERHOME environment variable!
*linux-fmdn:/usr/local/amber11/exe # ./xleap
*./xleap: line 8: /home/ssa/amber11/bin/xaLeap: No such file or directory
*/home/ssa/amber10/src/leap # ./xleap
*./xleap: line 5: BINDIR/xaLeap: No such file or directory
*linux-fmdn:/home/ssa # ./amber10/src/leap/xleap*
./amber10/src/leap/xleap: line 5: BINDIR/xaLeap: No such file or directory
I started xleap one time but now I am not getting back. Kindly guide me in
this connection. I am lost in chosing the right xleap or what?
Looking forward for the reply
On Thu, Jan 28, 2010 at 8:34 AM, case <case.biomaps.rutgers.edu> wrote:
> On Thu, Jan 28, 2010, sikander azam wrote:
>
> > following was the only possible failure found in TEST_FAILURES.diff file
> >
> > possible FAILURE: check mdout.tip5p.dif
> > /home/ssa/amber10/test/tip5p
> > 180,181d179
> > < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME =
> > 0.0001
> > < Density =
> > 0.
> > ---------------------------------------
>
> Don't worry about this one; it only has to do with how sander prints volume
> fluctations in very short runs.
>
> ...dac
>
>
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Received on Thu Feb 04 2010 - 06:00:02 PST
