[gmx-users] problem in converting coarse grained structure to fine strcture

[Djurre de Jong-Bruinink]

>I used the command g_fg2cg to convert a coarse grained structure into corresponding fine strcture, and i found that the water molecues can be transformed correctly, but there is a big mess in the protien , and i could not get correct protein strcture, can anyone give me some suggestion?


g_fg2cg only generates an atomistic input structure for the actual reverse transformation run. The atoms are placed at random position within the CG-beads and thus the protein is supposed to be "a big mess" after this step. 

Please read "http://md.chem.rug.nl/cgmartini/index.php/tutorial/reverse-transformation" for a more extensive explanation.


Groetnis,
Djurre