VMD-L Mailing List
From: اسحاق خداپرست سیاهمزگی (issac.kh72_at_gmail.com)
Date: Tue Feb 19 2019 - 03:19:51 CST
- Next message: 김민재: "1CA2 autoionization"
- Previous message: Axel Kohlmeyer: "Re: Topo tools error in dihedral guess"
- In reply to: Axel Kohlmeyer: "Re: Topo tools error in dihedral guess"
- Next in thread: اسحاق خداپرست سیاهمزگی: "Re: Topo tools error in dihedral guess"
- Reply: اسحاق خداپرست سیاهمزگی: "Re: Topo tools error in dihedral guess"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
I want to use CHARMM forcefield. because i want to add water and DNA
molecule to GO .
Axel Kohlmeyer <akohlmey_at_gmail.com> در تاریخ سهشنبه ۱۹ فوریهٔ ۲۰۱۹
ساعت ۱۱:۳۰ نوشت:
> One more question. Which force field do you want to use with the resulting
> data file?
>
> Axel
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> College of Science & Technology, Temple University, Philadelphia PA, USA
> International Centre for Theoretical Physics, Trieste. Italy.
>
> On Tue, Feb 19, 2019, 07:54 اسحاق خداپرست سیاهمزگی <issac.kh72_at_gmail.com
> wrote:
>
>> Dear Axel
>>
>> I can make graphene with VMD but I want to make a graphene-oxide .so i
>> wrote a c++ programm which make a GO .xyz file. then i used VMD to make
>> it's .pdb file and at the end i used topo tools as i said before.
>>
>> now i attached .xyz and .pdb files that i used.
>>
>> Regards
>>
>> Isaac
>>
>>
>> Axel Kohlmeyer <akohlmey_at_gmail.com> در تاریخ دوشنبه ۱۸ فوریهٔ
>> ۲۰۱۹ ساعت ۲۲:۴۴ نوشت:
>>
>>> you didn't report tbe topotools version
>>> the data file itself is useless without the original file that you used--00000000000012a04905823bbf3a--
- Next message: 김민재: "1CA2 autoionization"
- Previous message: Axel Kohlmeyer: "Re: Topo tools error in dihedral guess"
- In reply to: Axel Kohlmeyer: "Re: Topo tools error in dihedral guess"
- Next in thread: اسحاق خداپرست سیاهمزگی: "Re: Topo tools error in dihedral guess"
- Reply: اسحاق خداپرست سیاهمزگی: "Re: Topo tools error in dihedral guess"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]