Thanks.
Looking forward.
On Mar 11, 2011, at 9:18 PM, David Case wrote:
> On Mar 11, 2011, at 8:33 PM, erik zuiderweg <zuiderwe.umich.edu> wrote:
>
>> We have docked a ligand to a protein using AUTODOCK 4.2.
>> We use a protein structure that is minimized and equilibrated to 300K in Amber.
>> AUTODOCK gives many docks that are structurally very different but "energetically" the similar.
>>
>> We want to evaluate the results using Amber 11.
>
> Erik: I know I have been really bad about getting in touch with you. I don't have an "obvious" answer (which is one reason I delayed my reply--not a good excuse). I'll try to call on Monday, but we will probably need to get some sample inputs in order to see what is going on. Good news is that I have a post-doc working on docking and scoring who can probably help and you won't have to depend so much on me.
>
> ...regards..dave
>>
>
> _______________________________________________
> 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 Sat Mar 12 2011 - 08:30:02 PST
