From: Ruturaj warake (ruturajwarake47_at_gmail.com)
Date: Sun Aug 08 2021 - 09:44:27 CDT
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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