Hi Dave and Mark,
That was exactly what I tried just after sending my email - and it
seemed to work ok (insofar as at least I didn't get complaints from
sander afterwards). But I'd put the negative sign on the "new" fourth
atom, as you suggest, Dave.
Thanks for your help!
Ben
On 17/6/2009, at 1:56 p.m., David A. Case wrote:
> On Wed, Jun 17, 2009, Mark Williamson wrote:
>
>> In short, my solution was to reverse the atom index
>> order in the dihedral:
>>
>>
>> 20088 20094 20091 -0 44
>>
>> would become
>>
>> 0 20091 20094 -20088 44 <---dac change
>
> I've corrected(!?!) Mark's email concerning the revised dihedral.
> [Mark
> still had a "-0" and no negative sign for the fourth atom....]
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 09:56:39 PDT
