Re: [gmx-users] non-integral charge on my modeled protein structure

On 10/04/2010 5:06 PM, sonali dhindwal wrote: Sorry to bother you again but can you please help me in knowing "termini", The ends of polymers often need special treatment. Go and see what you've chosen and what makes sense to choose. I think total charge (i.e, cumulative) is wriiten at the

Re: [gmx-users] non-integral charge on my modeled protein structure

s there in topology file. am i doing something wrong in that ? Thanks and Regards -- Sonali Dhindwal --- On Sat, 10/4/10, Mark Abraham wrote: From: Mark Abraham Subject: Re: [gmx-users] non-integral charge on my modeled protein structure To: "Discussion list for GROMACS users" Date: Satu

Re: [gmx-users] non-integral charge on my modeled protein structure

On 10/04/2010 4:08 PM, sonali dhindwal wrote: Hello Everyone, I have a same query, I asked before, but couldnt get a solution for that, I have one modelled protein strucutre,,and when I run pdb2gmx to generate topolgy file, it gives charge in non-integral value. In Then something is broken. Are

[gmx-users] non-integral charge on my modeled protein structure

Hello Everyone, I have a same query, I asked before, but couldnt get a solution for that, I have one modelled protein strucutre,,and when I run pdb2gmx to generate topolgy file, it gives charge in non-integral value. In terminal then it gives warning of protein having non-integral charge. Moreove