('binary' encoding is not supported, stored as-is)
> How can I resolve this problem to move on?
You might skip using restraints since minimization is very local.
So, if I can simply skip restraints in the minimization, does this hold
true for the actual MD part as well (because if I need to use restraints
there, I'm assuming I'd run into the same problem again). Further, if I
can possibly skip these things, why are they recommended in the amber
tutorials? Is it just to ensure a "smoother" run or is there something
more behind this?
Best Regards,
Armin
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Mon Nov 29 2004 - 23:53:01 PST
