[gmx-users] Error while using genion

2013-06-20 Thread Raji Viswanathan
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

Re: [gmx-users] Error while using genion

2013-06-20 Thread Justin Lemkul
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

Re: [gmx-users] Error while using genion

2013-06-24 Thread Justin Lemkul
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"