Re: [AMBER] Writing mdcrd to inpcrd

From: Jeyaram R A <ra.jeyaram.vit.ac.in>
Date: Mon, 22 Jan 2018 16:32:08 +0000

You will change the output format as NetCdf (*.nc)
With regards,
R. A. Jeyaram
________________________________________
From: Simon Kit Sang Chu [simoncks1994.gmail.com]
Sent: Monday, January 22, 2018 4:59 PM
To: amber.ambermd.org
Subject: [AMBER] Writing mdcrd to inpcrd

Hi every user,

I have my simulation completed and outputted the trajectory to mdcrd. I
want to output several frames to inpcrd to restart another run. However,
VMD does not seem to output the correct format and the VMD-outputted
crd file is unreadable by AMBER.

Is there anyone suggesting an alternative / a solution in VMD? I cannot
imagine this has to be done by writing my own script.

Thanks in advance.

Regards,
Simon
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Received on Mon Jan 22 2018 - 09:00:02 PST
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