VMD-L Mailing List

From: amodzelewska_at_dns.iimcb.gov.pl
Date: Sun May 16 2004 - 13:21:58 CDT

Hi,
I wanted to ionize my model with the autoionize plugin v.1.1 in VMD
v.1.8.2. I didn't succeed because of the error message that ions.top file
was missing. I prepared this file by cutting some lines from the
top_all27_prot_lipid.inp file (in attachement). I suppose the script was
working correctly, the structure was read, 20 sodium ions were added, but
when the "ionized" files were being constructed the process was
interrupted with error messages: "unknown residue SOD". Does anybody have
an idea why?
Thanks
Anna

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