Adrien Delmont wrote:
/Dear Users,
I'm new to Gromacs. Before I try to generate a box of 100 molecules, I wanted to ask it to the users.
Can I get a box of 100 molecules that are randomly //distributed/ /and not attached to each other using the commands below?
If there are something wrong in commands please share your valuable suggestions with me.
Try it and see.
Thanks in advance
///
Adrien
pdb2gmx -f mol.pdb -o mol.gro -p mol.top -i mol.itp ( then chose suitable force
field )
////
This will only work if the force field contains parameters for your molecule.
-Justin
//////////genbox////////// //////////-ci////////// mol.gro //////////-nmol
100//////// //-o 100mol.gro //////-p
100mol.top//// ////////-box 12 12 12//////////
//
------------------------------------------------------------------------
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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