I am new Gromacs user and I found Dr. Kerrigan's tutorial on the spider toxin
peptide. I was going through the steps in the tutorial but got stuck with the
genion command. When I am prompted to select a group, I get the error that it
is not found. I tried many different ways of specifying thi
On 6/20/13 1:57 PM, Raji Viswanathan wrote:
I am new Gromacs user and I found Dr. Kerrigan's tutorial on the spider toxin
peptide. I was going through the steps in the tutorial but got stuck with the
genion command. When I am prompted to select a group, I get the error that it
is not found
genion? Does the following work?
echo 13 | genion -s ion.tpr -o fws-b4em.gro -neutral -conc 0.15 -p fws.top -g
ion.log
-Justin
Message: 2
Date: Thu, 20 Jun 2013 17:57:28 +
From: Raji Viswanathan
Subject: [gmx-users] Error while using genion
To: "gmx-users@gromacs.org"
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