Re: [AMBER] Cpptraj

From: Sayuri Pacheco <sayuri.pacheco.987.my.csun.edu>
Date: Thu, 28 Sep 2017 09:12:19 -0700

Hi Dan,
Thank you I will try that.

-Sayuri

> On Sep 28, 2017, at 9:07 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
>
> On Thu, Sep 28, 2017 at 12:01 PM, Sayuri Pacheco
> <sayuri.pacheco.987.my.csun.edu> wrote:
>> Hi,
>> I used cpptraj to strip certain amino acids from my protein and create a new prmtop and .nc file using the following commands.
>> parm myfile.prmtop
>> Trajin myfile.nc
>> Strip ! : 90-178 outprefix strip
>> Trajout myfile.nc
>> Go
>> I was wondering if you can create stripped .inpcrd files in cpptraj?
>
> Sure, just do 'trajout myfile.inpcrd restart' after the 'strip'
> command. See the manual for the full list of supported trajectory
> formats as well as full syntax for 'trajout'.
>
> -Dan
>
>>
>> Sent from my iPad
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>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
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Received on Thu Sep 28 2017 - 09:30:06 PDT
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