Re: [gmx-users] Generating a solvent box

Dilraj Lama wrote: Hello justin, Here is what I did.I initially defined a cubic box into which I placed the TFE molecule.This I did using editconf.Then I used genconf with the follwing command. genconf_mpi -f tfe-box-four.gro -o out-four.pdb -nbox 5 5 5 Yes I am able to generate a

Re: [gmx-users] Generating a solvent box

Hello justin, Here is what I did.I initially defined a cubic box into which I placed the TFE molecule.This I did using editconf.Then I used genconf with the follwing command. genconf_mpi -f tfe-box-four.gro -o out-four.pdb -nbox 5 5 5 Yes I am able to generate a regular arrangment o

Re: [gmx-users] Generating a solvent box

Quoting Dilraj Lama <[EMAIL PROTECTED]>: > Hello gmx users, > I have a query to ask.It would be nice if someone could > suggest me on this.I have a tfe molecule generated using > InsightII program package.Now I would like to create a box > containing a fixed number of tfe molecules

[gmx-users] Generating a solvent box

Hello gmx users, I have a query to ask.It would be nice if someone could suggest me on this.I have a tfe molecule generated using InsightII program package.Now I would like to create a box containing a fixed number of tfe molecules based on its density.I tried using "genbox" and "ge