On 10/8/17 1:04 PM, Dilip H N wrote:
Hello,
I have an amino-acid (eg. glycine) and water mixture, and by using charmm36
ff forcefield, I got the topology file through gmx pdb2gmx -f abc.pdb -o
abc.gro command.
1] In the topology file, the charges for each atom are assigned. from where
are these
Hello,
I have an amino-acid (eg. glycine) and water mixture, and by using charmm36
ff forcefield, I got the topology file through gmx pdb2gmx -f abc.pdb -o
abc.gro command.
1] In the topology file, the charges for each atom are assigned. from where
are these charges assigned..?? is it from the .rtp
