[gmx-users] using packmol in Gromacs 3

John Bennett john.bennett at ymail.com
Sun Feb 22 14:00:11 CET 2009

Dear Gromacs Users,
I created a starting structure that includes 100 n-dodecane molecules ( pdb file ) using packmol. And I want to use the packmol pdb file in Gromacs 3.3 . Can I directly start generating Gromacs top and crd file with using pdb2gmx ? For example to use a packmol pdb file in Amber it is necessary to add TER cards betwen each seperate molecule. Are there anything like that I must do for using packmol pdb file in Gromacs ? And units in packmol pdb file is angstrom . So Should I convert units to nm ? Finally What is the latest stable version of Gromacs ? I think Gromacs 4.0.3 is still a beta version ?
Thanks in advance!

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