[gmx-users] NVT equilibration.

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Wed Oct 5 11:08:38 CEST 2011

Dear All,

 My commands where,

    genconf_d -f ethanol.gro -o ethanol512.gro -nbox 8 8 8

    editconf_d -f eth512.gro -density 785.22 -o den.gro

    I saw the den.gro by using VMD. I saw only as points but not the


    grompp_d -f em.mdp -c den.gro -p ethanol.top -o em.tpr

    mdrun_d -deffnm em

    I saw em.gro using VMD. Now I see ethanol molecules arranged all over
the    box in order.

*With Regards,
Ravi Kumar Venkatraman,
IPC Dept., IISc,
Bangalore, INDIA.

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