**From:** Victoria Lim (*limvt_at_uci.edu*)

**Date:** Tue Sep 19 2017 - 01:37:21 CDT

**Next message:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Previous message:**Marcelo C. R. Melo: "Re: QM/MM With Mopac Error"**Next in thread:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Reply:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear NAMD users,

Do the harmonic restraint parameters specified by the "constraints" option

contain the factor of one half in the harmonic potential? I realize the

"extraBonds" option does *not* contain this factor, whereas the harmonic

potential in the colvars module does have the 1/2. However, I could not

find an explicit formula for the constraints option.

Thank you,

Ria

**Next message:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Previous message:**Marcelo C. R. Melo: "Re: QM/MM With Mopac Error"**Next in thread:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Reply:**Brian Radak: "Re: What is the exact form of the harmonic potential used by the NAMD "constraints" option?"**Messages sorted by:**[ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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