AMBER Archive (2008)

Subject: Re: AMBER: united atom force field

From: Adrien Delmont (adriendelmont_at_yahoo.com)
Date: Fri Aug 22 2008 - 14:17:10 CDT

Dear Luo, Thank you very much for your attention. If  I use ff03ua force field, run Antechamber ( like in TUTORIAL B4 ) in order to generate prepin file with doing the same procedure and write my own UA force field parameters in frcmod file Will I have used the United atom force field that I'm planning to use for n-alkanes  ? Thanks in advance Adrien ----- Original Message ---- From: Ray Luo <rluo_at_uci.edu> To: amber_at_scripps.edu Cc: rluo_at_uci.edu Sent: Friday, August 22, 2008 8:37:38 PM Subject: Re: AMBER: united atom force field Adrien, There is the ff03ua UA force field in Amber 9 and 10, but it was developed for proteins. There is no general UA field field planned in Amber. However, you can certainly follow the ff03ua strategies to develop your parm/prepin files for n-alkanes. All the best, Ray ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" (in the *body* of the email)       to majordomo_at_scripps.edu

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