Re: [gmx-users] Add atom to .itp file

2014-03-24 Thread Justin Lemkul
On 3/24/14, 5:33 AM, Satyadeep Roat wrote: I want to make a new itp file and add two atoms in it. Something like this ;[atoms] 1a1 q r1 2 a2 -q r2 Close, but not correct. The format for [atoms] is listed in manual section 5.7.2. There

Re: [gmx-users] Add atom to .itp file

2014-03-24 Thread Satyadeep Roat
I want to make a new itp file and add two atoms in it. Something like this ;[atoms] 1a1 q r1 2 a2 -q r2 On Mon, Mar 24, 2014 at 2:47 PM, Mark Abraham wrote: > I don't understand your description. > > Mark > On Mar 24, 2014 4:09 AM, "deep" wr

Re: [gmx-users] Add atom to .itp file

2014-03-24 Thread Mark Abraham
I don't understand your description. Mark On Mar 24, 2014 4:09 AM, "deep" wrote: > I want to create a polarizable particle system consisting of a sphere > carying > charge q and some size r1 on which a oppositively charge -q is present with > some other size r2 . Overall I want to create a collo

[gmx-users] Add atom to .itp file

2014-03-23 Thread deep
I want to create a polarizable particle system consisting of a sphere carying charge q and some size r1 on which a oppositively charge -q is present with some other size r2 . Overall I want to create a colloidal particle . Can anyone please help me in making these sphere (atom ) in itp file ? I wan