Dear all. I want to fix angles of between two kinds of molecules (resn X and Y) . If there are two molecules X (that has atom a and b) and Y (that has atom c). molecule X ; atom type a, atom type b molecule Y ; atom type c I wanna fix angle(a-b-c) to 180.
There is the CONS IC command (const.info or const.doc) which may work, although a linear angle may be difficult. You would first need to setup an IC table with this angle (intcor.info), e.g. IC EDIT ANGLE atom-a atom-b atom-c 180 END
Lennart Nilsson Karolinska Institutet Stockholm, Sweden