Hi, GMXers,
i've some doubts about the use of GMX and implicit solvent models.
 I have an huge system ( moreless 10 000 protein atoms) and trying to do MD using explicit solvents but my computer limitations doesn't work very well.
1) someone could help me giving some light in how can i simulate my system in vacuum? I tried and my protein colapses using PME and GMX FF number 4 in GMX3.2.1;
2) and so, if someone have tried to incorporate implicit solvents in simulations like GB, SASA, or others . This would be useful for me if give me some instructions.
sincerely,
Samuel Pita.