Re: [AMBER] vdwmeth

From: Hosein Geraili Daronkola <geraili.hsn.gmail.com>
Date: Fri, 7 Dec 2018 19:16:49 +0100

The problem is "fswitch" !!!
I checked the test runs of AMBER and it seems that they would always turn
the dispersion correction off when using fswitch.
Does anybody know the reason?
Best


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12/07/18,
7:14:55 PM

On Fri, Dec 7, 2018 at 4:55 PM Hosein Geraili Daronkola <
geraili.hsn.gmail.com> wrote:

> By the way, I am using periodic boundary conditions.
>
>
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> On Fri, Dec 7, 2018 at 3:58 PM Hosein Geraili Daronkola <
> geraili.hsn.gmail.com> wrote:
>
>> Hi,
>> I am using vdwmeth = 1, in amber18, but in the output file it is 0.
>>
>> even if I don't assign it, it is still zero. Both sander and pmemd of
>> amber18.
>>
>> What is the problem?
>> Best regards
>>
>>
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>> 3:56:15 PM
>>
>
>
> --
> Hosein Geraili Daronkola
> Ph.D. student,
>
> Wissenschaftspark Potsdam-Golm
> Max Planck Institute of Colloids and Interfaces
> Theory and Bio-Systems Department
>
> Office K-1.119
> Am M├╝hlenberg 1 OT Golm
> 14476 Potsdam
> Germany
>
> Phone: +49-(0)331 567-9611
> Fax: +49-(0)331 567-9602
> E-mail: hosein.geraili.mpikg.mpg.de
>
>

-- 
Hosein Geraili Daronkola
Ph.D. student,
Wissenschaftspark Potsdam-Golm
Max Planck Institute of Colloids and Interfaces
Theory and Bio-Systems Department
Office K-1.119
Am M├╝hlenberg 1 OT Golm
14476 Potsdam
Germany
Phone: +49-(0)331 567-9611
Fax: +49-(0)331 567-9602
E-mail: hosein.geraili.mpikg.mpg.de
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Received on Fri Dec 07 2018 - 10:30:03 PST
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