[gmx-users] Re: gmx-users Digest, Vol 82, Issue 103

[Adwait Mevada]

Dear gmx-users,
I am using gromacs 3.3.3 for my current simulations. using it i have  
already gotten the trajectory file, but i have to do a lateral  
pressure analysis. I have come to know through the forum that there is  
gromacs 3.0.2. version which has this facility, i have downloaded it.
my question is do i have to generate a new trajectory using gromacs  
version 3.0.2 to do lateral pressure analysis
or
Is it fine to analyse gromacs trajectory ( from gromacs 3.3.3 ) with  
gromacs 3.0.2

my other question is how do i go about doing lateral pressure analysis?
 From what i understand
i have to use rerun option in mdrun to do the analysis, so is this correct

mdrun -rerun -f 512dppc_chol.trr -s 512dppc_chol.tpr -o  
512dppc_chol_analysis.trr

is there a tool like g_lateral_pressure which i have to use after the  
above step?

please note that i am using martini coarse grained force field for my  
simulations.

Thank you for your help
-Adwait


----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.