subject:"\[gmx\-users\] bonding energy"

Re: [gmx-users] bonding energy

2013-03-14 Thread Justin Lemkul

On 3/14/13 4:08 PM, fatemeh ramezani wrote: I would check the energy connection between an amino acid and a ligand. After simulation, I run the following command: g_dist_mpi -f x.trr -s x.tpr -n index.ndx -o pro.xvg Then I choose the bond option (option 1) from the proposed optio

[gmx-users] bonding energy

2013-03-14 Thread fatemeh ramezani

I would check the energy connection between an amino acid and a ligand. After simulation, I run the following command: g_dist_mpi -f x.trr -s x.tpr -n index.ndx -o pro.xvg Then I choose the bond option (option 1) from the proposed options. Is this true for energy bonding finding betw