CCL: Looking for MD program to model droplets



 Sent to CCL by: "Peeter  Burk" [peeter#,#chem.ut.ee]
 Dear colleagues,
 We are planning to extend our activities to the MD modeling of droplets in
 atmosphere. Could anyone suggest a suitable program, which can be used for MD
 modeling of water and also other solvent (e.g. acetonitrile, DMSO) droplets
 containing some organic solutes (neutral and also cationic or anionic forms).
 The program should be capable of handling droplet of several thousand molecules
 in a reasonable time. So far we have had some preliminary tries with tinker and
 amoeba force field with some success, but tinker seems not to be parallelized so
 I would like to inquire about other (faster, better, etc.) options.
 Best regards
 Peeter Burk
 University of Tartu, Estonia
 burk(_)ut.ee