Dear David
I can run amber.
Thanks for your help
Best
On Sat, Jul 2, 2011 at 6:00 AM, case <case.biomaps.rutgers.edu> wrote:
> On Fri, Jul 01, 2011, e p wrote:
>
> > I do your suggestion but I have a problem
>
> Did you read the error message? As Amber messages go, this is a very
> informative one:
>
> ERROR: r1 -> r4 (and r1a -> r4a) must be monotonically increasing;
> Offending restraint:
> ******
> H ( 2391)-HG ( 2872) NSTEP1= 0 NSTEP2= 0
> R1 = -97.000 R2 = 4.000 R3 = 3.000 R4 = 103.000 RK2 = 5.000 RK3 =
> 5.000
>
> Also, you will certainly need to equilibrate your system before running
> advanced "jar" calculations.
>
> ...dac
>
>
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Received on Sat Jul 02 2011 - 22:30:03 PDT
