Alchemical FEP calculations in NAMD

From: Satyavani Vemparala (vani_at_VITAE.CMM.UPENN.EDU)
Date: Fri Feb 20 2004 - 22:09:43 CST

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Hello:

I am new to FEP calculations. I have a question:

1.I understand from the tutorial (on NAMD website) that to include the
excluded atoms info into PSF files, CHARMM is used. Is this still the only
way? I do not have access to CHARMM.

2. How is FEP file generated? any software?

3. Any review articles (recent) that would be useful to me to better
understand these calculations?

Thanks
Vani

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