>> Hello, dear users!<br>
>><br>
>> I want to study different components in total free energy.<br>
>> Could you tell me in what gromacs program and in what place exactly force and energy are calculated?<br>
<br>>I think your question is too general. I don't know whether you've
already done a calculation, are planning one, or want to look at source
code. Please ask a more specific question.<br>
><br>
>Mark<br><br>I've already run md and I've got a pmf. Bun I want to split this pmf into several, each of which corresponds to different components of total force or energy. So I want to look at source code and try to change them or is another way to do this?<br>
<br>Petr.<br>