[gmx-users] Re: Error during executing the protein ligand tutorial

[bharat gupta]

Hi,

In addition to my last mail, I am also getting another error during the
minimization step. I made the changes in em_real.mdp file for my sytem but
its showing the error that "ource code file: readir.c, line: 1316

Fatal error:
Group PTR not found in indexfile.
"

also the charge on the system now is 8 .... pls help

-- 
Bharat
Ph.D. Candidate
Room No. : 7202A, 2nd Floor
Biomolecular Engineering Laboratory
Division of Chemical Engineering and Polymer Science
Pusan National University
Busan -609735
South Korea
Lab phone no. - +82-51-510-3680, +82-51-583-8343
Mobile no. - 010-5818-3680
E-mail : monu46010 at yahoo.com
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