Re: [AMBER] how to combine several stripped trajectory netcdf files

From: Liao <liaojunzhuo.aliyun.com>
Date: Tue, 16 Jun 2020 23:08:52 -0500

“xyz.nc” will be the output file. Trajout is the command to tell cpptraj to write out the trajectory file.

Sent from my iPhone

> On Jun 16, 2020, at 10:44 PM, Nada Afiva <nadaafiva.gmail.com> wrote:
>
> Thanks so much sir,
> Is the "trajout xnz.nc" the output file?
> Thank you.
>
>
> Pada tanggal Rab, 17 Jun 2020 pukul 10.39 Elvis Martis <
> elvis_bcp.elvismartis.in> menulis:
>
>> Hi
>> Load all the stripped trajectories (trajin command) in cpptraj and by
>> "trajout xyz.nc" you should be able to get a concatenated trajectory.
>>
>> Best Regards
>> Elvis
>>
>>
>>
>>> On Wed, 17 Jun 2020 at 08:42, Nada Afiva <nadaafiva.gmail.com> wrote:
>>>
>>> Dear Amber users,
>>> I have run 40 ns simulation and stripped trajectory files in 4 different
>>> files:
>>> 1. production 0-10 ns: 1 stripped trajectory file
>>> 2. production 11-20: 1 stripped trajectory file
>>> 3. production 21-30: 1 stripped trajectory file
>>> 4. production 31-40: 1 stripped trajectory file
>>> So I have 4 stripped trajectory files and I want to combine the four
>>> stripped trajectory files in one file.
>>> How to do that.
>>> thank you in advance.
>>>
>>> best,
>>> Nadaafiva
>>> _______________________________________________
>>> 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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 16 2020 - 21:30:06 PDT
Custom Search