Re: [gmx-users] gmx insert-molecule issue- not getting the number atoms inserted wanted

2018-02-15 Thread Mark Abraham
Hi, There's not enough information to say. What makes you think your molecules will fit in the spaces you say are there? What radii did you suggest for the atoms in your molecules? Mark On Thu, Feb 15, 2018 at 6:54 PM Joydeep Munshi wrote: > Hello, > > I have a system of

[gmx-users] gmx insert-molecule issue- not getting the number atoms inserted wanted

2018-02-15 Thread Joydeep Munshi
Hello, I have a system of polymer(P3HT)-fullerene system. I am using initially Insert-molecule command to insert N number of P3HT molecules followed by PCBM molecules. Finally I am solvating the system using Solvate command. While I am trying to insert N=300 atoms it is successfully inserting