Using 4-site water model in NAMD

From: Haohao Fu (
Date: Sun Sep 16 2018 - 20:05:23 CDT

Dear All,

I'm trying to equilibrate a TIP4P water box using NAMD. However, when I
submit such job, the NAMD process will stop in 10 timesteps. I suspect that
there are something wrong in my psf file, but I cannot figure out where the
problem is.

I used the official version of "toppar_water_ions_tip4p.str" in and tried both NAMD 2.12 and
2.13b1. The "waterModel" option is set to "tip4". All the files used can
be download in

Could anyone help me out? Thanks!


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