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

2019-10-30 Thread SHAHEE ISLAM
i am doing this simulation with martini coarse grained force field. so i just replace p and n by bead name and it is working now. thank you so much again for your reply. On Wed, Oct 30, 2019 at 1:04 PM SHAHEE ISLAM wrote: > i am so sorry for the late reply. I have applied both of your

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

2019-10-30 Thread SHAHEE ISLAM
i am so sorry for the late reply. I have applied both of your suggestion but still it does not working. syntax error invalid selection 'POPG and name P* N* within 1.0 of Protein' can you please guide me to solve the error. On Fri, Oct 25, 2019 at 3:39 PM Justin Lemkul wrote: > > > On 10/25/19

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

2019-10-25 Thread Justin Lemkul
On 10/25/19 5:38 AM, Peter Stern wrote: You are probably causing your command to run in the background with “&”. Try using “and” instead. In addition to this, the selection string needs to be enclosed by single quotes. -Justin Peter Sent from my iPhone On Oct 25, 2019, at 11:45 AM,

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

2019-10-25 Thread Peter Stern
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 wrote: > > Hi, > I am trying to calculate the angle between P and N vector of my lipid > (popc+popg) with regards to

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

2019-10-25 Thread SHAHEE ISLAM
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