subject:"\[gmx\-users\] Protein potential energy"

Re: [gmx-users] Protein potential energy

2018-06-18 Thread Justin Lemkul

On 6/18/18 4:15 AM, Ming Tang wrote: Dear list, I pulled a protein in water. In order to get the trend of the potential energy terms of the protein, I defined energygrps and reran the system. May I ask can I get the right trend of the protein potential energy terms using this approach?

[gmx-users] Protein potential energy

2018-06-18 Thread Ming Tang

Dear list, I pulled a protein in water. In order to get the trend of the potential energy terms of the protein, I defined energygrps and reran the system. May I ask can I get the right trend of the protein potential energy terms using this approach? Your help is appreciated. Thanks, Tammy --