AMBER Archive (2002)

Subject: amber7, PME and anisotrop press.

From: Arvid Soederhaell (arvid_at_fmp-berlin.de)
Date: Thu Apr 04 2002 - 03:46:58 CST

Dear Amber community,
Is it possible to use particle mesh Ewald and anisotropic pressure
scaling (ntp=2) in sander/amber7? This is obviously not possible in
sander/amber6.

If it is not possible, is it still possible to simulate a membrane
using PME? Isotropic pressure scaling would induce an artificial surface
tension (or constrain the lipid area.)
  
Best regards
  Arvid Soderhall

Arvid Soederhaell, PhD Phone:+49-30-94793-231
Forschungsinstitut fuer Molekulare Pharmakologie Mob:+46-70-723 33 63
Robert-Roessle-Strasse 10 Fax::+49-30-94793-169
131 25 Berlin