For starters there is no residue name in your .gro file, you simply have a number. First column should be …
1HEX C1 1HEX C2 . . . 1HEX H14 2HEX C1 Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 [email protected] +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail.
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