subject:"\[gmx\-users\] Ligand charge assignment"

Re: [gmx-users] Ligand charge assignment

2011-11-21 Thread Mark Abraham

On 21/11/2011 9:28 PM, archana sonawani wrote: Dear Sir/madam, I have a ligand molecule for which I generated the topology file using Prodrg software. As the charges and groupings provided by Prodrg are not much reliable. I need to assign correct charges and groupings for my ligand. I had ref

[gmx-users] Ligand charge assignment

2011-11-21 Thread archana sonawani

Dear Sir/madam, I have a ligand molecule for which I generated the topology file using Prodrg software. As the charges and groupings provided by Prodrg are not much reliable. I need to assign correct charges and groupings for my ligand. I had referred the article "Practical considerations for buil