[gmx-users] change pressure to surface-tension on water

Xavier Periole periole at inka.mssm.edu
Wed Jul 16 23:21:01 CEST 2003

When working with surface tension the first value of ref_p 
is not a pressure but the actual value of surface tension 
(times the number of surfaces) you want to apply on the 
x/y plan. check up the manual 7.3.11 (pressure coupling)

  ----- Original Message ----- 
  From: Albert Sun 
  To: gmx-users at gromacs.org 
  Sent: Wednesday, July 16, 2003 5:08 PM
  Subject: [gmx-users] change pressure to surface-tension on water

  Dear Gromacs Users,

  When I run the tutor/water example, I changed the pressure coupling type to surface-tension and set 

  compressibility =4.5e-5  4.5e-5   ref_p =1.0   1.0 

  I expect the trajectory and velocity should have some changes.

  However, I could not find out any change.  

  Appreciate if you could point out what is the problem?




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