AMBER Archive (2006)

Subject: AMBER: How to give the specific pressure parameter for NTP=2

From: hbluo (hbluo_at_hkbu.edu.hk)
Date: Tue Mar 28 2006 - 11:29:48 CST

Dear Sir,

Hello!

I have a question regarding the Pressure Regulation (NTP=2) using AMBER 8. Normally, NTP is set to 1 for isotropic position scaling. However, in our systems, anisotropic pressure scaling should be used for membrane simulation. Can you offer me some hints on how to provide the specific pressure parameter (x, y, z) for NTP=2 in the input file? How about the unit? Bar or Atm ?

I look forward to your reply. Thank you so much!

Best regards.

Haibin Luo
hbluo_at_hkbu.edu.hk @ hbluo2005_at_yahoo.com.cn
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Chemistry Department, Hong Kong Baptist University
Kowloon Tong, Hong Kong
Voice: +(852) 3411-5815
Fax: +(852) 3411-7348
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