[AMBER] tinker_to_amber error

From: Xiaoliu Zhang <xzhan91.lsu.edu>
Date: Mon, 1 Aug 2016 15:52:17 +0000

Dear amber user,

I'm running tinker_to_amber command following the Amber 16 manual. The system I used to test only has one CH3OH molecule. I have installed the tinker6, and the Amber 16 tool without Amber.

First I got my methanol.xyz , methanol.key, and methanol.pdb file. The parameters I was using is amoeba04.prm.

Then I ran

$TINKER_HOME/bin/analyze methanol PC > methanol.analout

and it worked.

Next, I ran tinker_to_amber command, and it gave me an error:

username-PC:~/Documents/ambertest$ tinker_to_amber -name methanol -title "methanol amoeba04 FF"
cfieldfile = /home/xiaoliu/Documents/ambertest/amoeba04.prm
trouble opening prmtopfile methanol.prmtop

As a result, I only got an empty prmtop file and no inpcrd file.

I attached all the files I have. Is there any method to fix this problem?

Many thanks!


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Received on Mon Aug 01 2016 - 09:00:02 PDT
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