Hi Everyone,
In the past, cpptraj in Ambertools 14 worked for me for stripping parameter files.
The input file (my_input) was:
parm mytopo
parmstrip :1-69
parmwrite out new.top
run
Now, using cpptraj in Ambertools 17, I did:
source $AMBERHOME/amber.csh (on a pre-installed workstation)
or source /mypath/ambertools/17/amber.csh (in SBgrid)
$AMBERHOME/bin/cpptraj < my_input
resulted: Error: writing topology file 'new.top'
I noticed there was an email stream on September 1, 2017 with title "Cpptraj and parmwrite and strip" (
http://archive.ambermd.org/201709/0019.html), so I am wondering if cpptraj in Ambertools 17 does no longer work for this stripping function.
Thank you!
Wen
Re: [AMBER] Cpptraj and parmwrite and strip from Daniel ...<http://archive.ambermd.org/201709/0019.html>
archive.ambermd.org
From: Daniel Roe <daniel.r.roe.gmail.com> Date: Fri, 01 Sep 2017 20:27:18 +0000 You must have an old version of cpptraj. I suggest upgrading to at least
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Received on Thu Oct 12 2017 - 10:30:03 PDT
