From: Nassar, Omneya (omnassar_at_UTMB.EDU)
Date: Sun Sep 16 2018 - 22:04:00 CDT
Can you send the error message that you receive as well as the NAMD input file you are using?
On Sep 16, 2018, at 8:11 PM, Haohao Fu <fhh2626_at_gmail.com<mailto:fhh2626_at_gmail.com>> wrote:
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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 http://mackerell.umaryland.edu/charmm_ff.shtml Could anyone help me out? Thanks!
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: Wed Sep 18 2019 - 23:20:18 CDT
Could anyone help me out? Thanks!
This archive was generated by hypermail 2.1.6 : Wed Sep 18 2019 - 23:20:18 CDT