Date: Fri, 23 Oct 2020 14:30:26 +0200
Hi Anselm,
Thanks you so much for you answer. I have obtained this file.pdb (file
attached), but when open this file in chimera por example, and I
calculate the surface electrostatic potencial.. appears the image
attached...grey zone?..any suggest?
Thanx in advance,
Myriam
"Dr. Anselm Horn" <anselm.horn.fau.de> escribió:
> Hi,
>
> you can use ambpdb from the AmberTools to obtain a pdb file from your
> protein's crd/top files, in which the atom charges from the force field
> can be included. See the -pqr flag.
>
> Regards,
>
> Anselm
>
> On 10/23/2020 10:11 AM, MYRIAN TORRES RICO wrote:
>>
>> Dear all,
>>
>>
>> I want to calculate the potential surface of my protein, for this I
>> need the charges of all the amino acids in the pdb, but they don't
>> come ... how could I calculate them, with RESP?
>>
>> Thanx in advance,
>>
>> Myriam
>>
>>
>> _______________________________________________
>> 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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
- application/vnd.palm attachment: ambpdb-prueba.pdb
(image/jpeg attachment: prueba.jpg)
