Re: [AMBER] Cannot open the main chain file after prepgen command

From: David Case <>
Date: Mon, 6 Feb 2017 11:08:00 -0500

On Mon, Feb 06, 2017, Nikolay N. Kuzmich wrote:
> after executing prepgen command to generate mainchain file,
> prepgen -i -o Ser630_bound.prepin -m -rn ADF

This is a command that uses the mainchain file as *input*; it is not a command
to "generate a mainchain file".

People usually create mainchain files by hand using a text editor. Please see
section 3 of tutorial B5 for a detailed example.

...hope this helps...apologies if I have misunderstood the question....dac

AMBER mailing list
Received on Mon Feb 06 2017 - 08:30:03 PST
Custom Search