AMBER Archive (2003)

Subject: AMBER: NTX 5 or 7 after equilibration in constant pressure?

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Dear all
Hello
I am trying to do MD simulation on a peptide in
water(TIP3P model). I did equilibration first in
constant volume, then in constant pressure. now to
start production run NTX must be 5 or 7?
Thanks a lot
Majid Erfani Moghaddam

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• Next message: Majid moghaddam: "AMBER: Is NTC=2 correct for minimization when hydrogens are added?"
• Previous message: Lee, Matthew: "AMBER: protonation states of small molecules"
• Next in thread: David A. Case: "Re: AMBER: NTX 5 or 7 after equilibration in constant pressure?"
• Reply: David A. Case: "Re: AMBER: NTX 5 or 7 after equilibration in constant pressure?"
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