Yes, I did. However, I am facing problems with the wster molecules, and I
do not how to deal with them.
Le vendredi 1 août 2014, Jason Swails <jason.swails.gmail.com> a écrit :
> Have you worked through the MCPB tutorial yet?
>
> http://ambermd.org/tutorials/advanced/tutorial20/
>
>
> On Fri, Aug 1, 2014 at 2:17 PM, Pedro A. Baldera Aguayo <
> a.baldera7.gmail.com> wrote:
>
>> Hi!
>>
>> I'm a totally newbie in Amber. I'm facing some problems when trying to
>> build the topology files for a Zn metalloprotein, which is connected
>> bounded to 3 histidines (I have already from HIS to HID), 1 aspartate
and 2
>> water molecules. I've tried to following your comments according this
post
>> http://archive.ambermd.org/201406/0518.html; however:
>>
>> 1. I do not how to add the Hydrogens to the water molecules via tleap
>>
>> 2. Do I need to change HOH to MOH for the 2 molecules that are bounded to
>> the Zn in order to be recognized for MCPB? Is this mandatory? It is a
>> suggestion?
>>
>> I would really appreciate your help, thanks in advance for your time
>>
>> Pedro
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Pedro A. Baldera-Aguayo
National University of Engineering (UNI)
Lima - Peru
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Received on Fri Aug 01 2014 - 12:00:03 PDT
