GROMACS

Hi all,

Per David van der Spoel's suggestion, I am posting a feature request. Right now, electric field components can be specified in the form of a A*G*(t)*cos(w*t), where A is a constant and G(t) is a Gaussian of some sort. Only one statement per component (x, y, or z) is allowed. I'd like to request that the form is either generalized to A*G*(t)*cos(w*t) + A1, where A1 (!=A) is a constant offset.

Example of use: ion channels driven by a constant electric field A1 and illuminated by some light described by the sinusoidal portion. An alternative to extending the functional form would be allowing to supply multiple directives for the same electric field component.

Thank you,

Alex