[gmx-users] Making a .rtp file

Amanda Watkins mhstrumpetgirl at yahoo.com
Thu Jun 24 18:27:40 CEST 2010

I am trying to create a .gro file of a single detergent which I am going to then multiply and put it in water and have it form micelles. In order to create a .gro file, I know I need to create a .rtp file of my residue or add it to the desired force field .rtp file I want to run my detergent in. Is there any way to custom make one (or add it to an existing .rtp) using data that I took from another program that I used to analyze and minimize my detergent? I am currently trying to create a .rtp and a .top file using x2top, but that still might not enable me to generate a .gro file. Thank you for taking the time to read my email and help me answer my question.

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