Re: problem to generate LPS PSF file using PSFGEN

From: 송연호 (syh6076_at_gmail.com)
Date: Mon Mar 20 2017 - 19:22:29 CDT

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• In reply to: Fotis Baltoumas: "Re: problem to generate LPS PSF file using PSFGEN"
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Hi, Fotis

I appreciate your help. But I've seen nearly same error. so I didn't make
using PSFGEN to generate PSF file.

The error is

sfgen) aliasing residue ECLI to ECLIPA in topology definitions
psfgen) building segment LPS
psfgen) reading residues from pdb file
./../LPS_im_lipidA_Core/lps_modeler.pdb
psfgen) extracted 11 residues from pdb file
psfgen) Info: generating structure...psfgen) unknown atom type H
psfgen) add atom failed in residue ECLI:1
failed!

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