[gmx-users] Regarding Simulation of KALP-15 in DPPC
Dallas.Warren at monash.edu
Wed Nov 23 22:12:14 CET 2011
What exactly did you try? What was the result?
Actually copy and paste the commands and output. Saying it didn't work is insufficient detail for anyone to help you.
Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble a nail.
From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Ravi Kumar Venkatraman
Sent: Wednesday, 23 November 2011 7:58 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] Regarding Simulation of KALP-15 in DPPC
I was following the tutorial for simulating KALP-15 in DPPC. I got stuck in step three. Following the instruction, I created the dppc128.gro file using editconf. To remove the initial periodcity I was trying to use trjconv but I could not do it. Please help me in this regard.
Ravi Kumar Venkatraman,
IPC Dept., IISc,
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