[gmx-users] gangle command
jalemkul at vt.edu
Mon Jun 4 13:59:11 CEST 2018
On 6/3/18 8:50 AM, delara aghaie wrote:
> Dear Gromacs users
> I want to calculate the angle between P-N vector in the head group of DPPC molecules with the z-axis (bilayer normal) using gangle command.I know that for the z axis I should use (-g2 z) but do not know how to define a vector for P-N. Your help would be greatly appreciated.
What have you tried? What did you get? Can you get a sensible result
with defining an index group with the P and N atoms of a single lipid?
What about multiple?
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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