VMD-L Mailing List

From: 黄洋 (leolovege_at_stu.xmu.edu.cn)
Date: Wed Jul 10 2019 - 09:03:44 CDT

Dear Sir:

I used to use all27 as the force field parameter, but I got an error when I changed it to all36.

Errors:

FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT

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I have used top_all27_prot_lipid_na.inp as topology file to build .psf file by VMD Autopsf module. futhermore, I carried out molecular dynamics simulation using par_all27_prot_lipid.inp as force field parameters in NAMD.

It always works until topology file was replaced with top_all36_prot.rtf and force field parameters file was replaced with par_all36_prot.prm.

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I would be appreciated if anyone could tell me how to solve it.

Thanks

Yang Huang

Xiamen University.