From: ROPÓN-PALACIOS G. (biodano.geo_at_gmail.com)
Date: Tue Aug 10 2021 - 23:33:54 CDT
Post your conf file
Enviado desde mi iPhone
> El 8 ago. 2021, a la(s) 9:46 a. m., Ruturaj warake <ruturajwarake47_at_gmail.com> escribió:
>
>
> Can anyone please respond to this ?
>
>> On Sun, 8 Aug 2021, 12:55 Ruturaj warake, <ruturajwarake47_at_gmail.com> wrote:
>> attached 3 config files.
>> step5 for 10ns
>> step6 and step7 are for 5 ns respectively.
>> total 20ns
>>
>> please do guide.
>>
>>> On Sun, 8 Aug 2021 at 12:45, Pratik Narain Srivastava <pratik.narain_at_gmail.com> wrote:
>>> Post your conf files for all 3 runs. You seem to have overwritten your files.
>>>
>>>> On Sun, 8 Aug, 2021, 12:44 pm Ruturaj warake, <ruturajwarake47_at_gmail.com> wrote:
>>>> Dear users,
>>>> I am running normal protein ligand docked complex simulation.
>>>> I have less computer configuration so I did 10 ns run first. Then I again did 10 ns and so on till 30 ns by changing the inputname and outputname in production.inp file.
>>>> But as I am seeing now, production.dcd file is being smaller in size (kB) after every run.
>>>> So I am not sure whether it works or not. Whether I can achieve 30 ns or I am repeating same 10 ns again and again ? Please guide me for the same.
>>>>
>>>> Ruturaj Warake,
>>>> Niper, Hyderabad
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