[gmx-users] Regarding GROMACS Tutorial "KALP15 in DPPC"
anurag.dobhal at nano-medicine.co.in
Sun Sep 28 15:03:31 CEST 2014
I am doing the tutorial "KALP15 in DPPC".
I heve done till the command
perl inflategro.pl system.gro 4 DPPC 14 system_inflated.gro 5 area.dat
and then i minimised the the system by running the command
mdrun -v -deffnm em
now i am unable to understand how to produce "confout.gro"
please help how to proceed and where I am wrong.
On Sun, Sep 28, 2014 at 5:37 PM, Anurag Dobhal <
anurag.dobhal at nano-medicine.co.in> wrote:
> Dear users.
> I am doing the tutorial "KALP15 in DPPC".
> I heve done till the command
> "genrestr -f KALP_newbox.gro -o strong_posre.itp -fc 100000 100000
> after that I am not able to understand wat to do and how to solvate the
> please can anyone expalin me in easy words how to proceed.
> Please help
> Anurag Dobhal
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