I would like to be able to get higher decimal precision for the values output by the "?XXXX" substitution parameters. For example, if I want to get the crystal cell dimensions by ?XTLA, the values obtained are with only 4 decimal places (87.2602). I would like to get those values in, for example, double precision (~15 decimal places). Is this possible?
Alternatively, when I read a trajectory with crystal data, it would be helpful to get the shape matrix components in the precision written in the trajectory file - can this be done within a CHARMM script?