Re: [gmx-users] Regarding preparation of .itp file for a new molecule

2006-09-26 Thread Mark Abraham
> Hai all... >I am a newbie to gromacs simulation software and its file > formats. I want to develop coarse grain models for surfactant systems by > using atomistic simulations. I got a .pdb file for BTMAC surfactant. > But to run simuations on gromacs,I need to include .itp f

[gmx-users] Regarding preparation of .itp file for a new molecule

2006-09-26 Thread ARUN KUMAR
Hai all...    I am a newbie to gromacs simulation software and its file formats. I want to develop coarse grain models for surfactant systems by using atomistic simulations. I got a .pdb file for BTMAC surfactant.   But to run simuations on gromacs,I need to include .itp file in s