[gmx-users] how to select head groups of lipid within 10 angstrom of protein

Peter Stern peter.stern at weizmann.ac.il
Fri Oct 25 11:38:13 CEST 2019


You are probably causing your command to run in the background with “&”.  Try using “and” instead.  

Peter

Sent from my iPhone

> On Oct 25, 2019, at 11:45 AM, SHAHEE ISLAM <islamshahee at gmail.com> wrote:
> 
> Hi,
> I am trying to calculate the angle between P and N vector of my lipid
> (popc+popg) with regards to the z axis to see how the protein is affecting
> the membrane. I am using this command, but it does not working
> gmx select -f *.xtc -s *.tpr -select POPG & name P* N* within 1.0 of
> Protein -oi number.dat
> but the problem is, when the command is running only
>  gmx select -f *.xtc -s *.tpr -select POPG
> this command.
> Can anyone please guide me what i am doing wrong.
> Thanking you
> Shahee
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