NPT_NPgammaT_or_NPAT_for_membrane_with_CHARMM_forcefield

From: Karol Kaszuba (karol.kaszuba_at_moskit.uwm.edu.pl)
Date: Thu Nov 08 2007 - 06:00:33 CST

• Next message: Vlad Cojocaru: "ABF application"
• Previous message: ramya narasimhan: "saving the coordinates for huge trajectory file"
• Next in thread: JC Gumbart: "Re: NPT_NPgammaT_or_NPAT_for_membrane_with_CHARMM_forcefield"
• Reply: JC Gumbart: "Re: NPT_NPgammaT_or_NPAT_for_membrane_with_CHARMM_forcefield"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

  Hello,

  Based on the literature and previous posts I found that CHARMM forcefield does not yield the correct
  bilayer geometry in NPT ensemble, however there are many articles in which we can find membrane-protein
  simulation in NPT and no one mentions about the problems with bilayer structure - so I am little
  confused - can I use the CHARMM forcefield (release c32b1) to simulate POPC membrane in NPT or
  do I have to use NPgamma(surface tension)T or NPAT ?

  Thank you in advance,

  Regards,

  Karol

• Next message: Vlad Cojocaru: "ABF application"
• Previous message: ramya narasimhan: "saving the coordinates for huge trajectory file"
• Next in thread: JC Gumbart: "Re: NPT_NPgammaT_or_NPAT_for_membrane_with_CHARMM_forcefield"
• Reply: JC Gumbart: "Re: NPT_NPgammaT_or_NPAT_for_membrane_with_CHARMM_forcefield"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:29 CST