Re: [AMBER] .crd error

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Tue, 4 Feb 2020 14:37:04 -0500

Hi,

On Tue, Feb 4, 2020 at 9:36 AM Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
> >> parm smp-198-mdk0rig.top
> >> trajin smp-198mdk0rig_vcon3.mdcrd [START] [STOP] [STEP]
> >> trajout smp-198mdk0rig_vcon3.rst restart
>
> That should take the last frame (if correctly defined) and turn the it into an old restart file.

Quick note - if you just want the last frame, use the 'lastframe'
keyword of 'trajin':

trajin smp-198mdk0rig_vcon3.mdcrd lastframe

-Dan

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Received on Tue Feb 04 2020 - 12:00:02 PST
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