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charmm -i step3_packing.inp not running
#37641 08/27/19 09:15 AM
Joined: Aug 2019
Posts: 14
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sohyeon Offline OP
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HI all,

I'm beginner charmm program.

I generated a POPC only with CHARMM-GUI membrane builder and downloaded the setup files.

Now I am trying to understand the procedure to modify the input files.
As first step, charmm -i step3_packing.inp
It occurs error, I don't know why this error occurring so
I can't solve this problem.

Am I supposed to set the parameters in the step3_nlipids_lower.prm file?
for example
set nchl1bot = 0 (:original) -> set nchl1bot = 1

How can I solve this error?

(And I attach error code)

Attached Files
error.txt (42.75 KB, 56 downloads)
Re: charmm -i step3_packing.inp not running
sohyeon #37642 08/27/19 03:40 PM
Joined: Sep 2003
Posts: 8,499
rmv Online Content
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Your duplicate of this post in the "Setup ..." forum has been deleted; duplicate posts are not permitted.


Rick Venable
computational chemist


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