RE: [gmx-users] TIP5P calculating the dummy positions

2011-10-27 Thread Richard Broadbent
2546 is the answer i get how ever the answer i should be getting > is -0.344908 . I've tried to look for solutions to this but i still > don't understand it. > It would be very helpful if you could show me where i have gone wrong. > > > Thanks, > Pratik Kaku >

RE: [gmx-users] TIP5P calculating the dummy positions

2011-10-27 Thread pratik kaku
tions to this but i still don't understand it. It would be very helpful if you could show me where i have gone wrong. Thanks, Pratik Kaku > Subject: Re: [gmx-users] TIP5P calculating the dummy positions > From: richard.broadben...@imperial.ac.uk > To: gmx-users@gromac

Re: [gmx-users] TIP5P calculating the dummy positions

2011-10-21 Thread Richard Broadbent
Dear Pratik, > > > I am trying to create the tip6p itp file. In order to do that, since > it is an overlap of the tip4p and tip5p model (visually) > I am trying to understand the a, b, and c values for the position of > the dummy charge in the tip5p models. > > Below is the part of the script

[gmx-users] TIP5P calculating the dummy positions

2011-10-21 Thread pratik kaku
To whomsoever it may concern, I am trying to create the tip6p itp file. In order to do that, since it is an overlap of the tip4p and tip5p model (visually) I am trying to understand the a, b, and c values for the position of the dummy charge in the tip5p models. Below is the part of the scri