[gmx-users] The No. of the CO2 melecules in top file can not be updated correctly

Hi, Justin, Thank you for your reply. It is a little weird and inconvienient that genbox does not update the No. of solute molecules. Is it designed in this way? Does it have any reason for that? For my case, the inear, 3-atom model of CO2 works pretty well. I got the model from a paper from

Re: [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly

On 10/5/12 5:18 AM, Bao Kai wrote: Hi, Justin, Thank you for your reply. It is a little weird and inconvienient that genbox does not update the No. of solute molecules. Is it designed in this way? Does it have any reason for that? The principal function of genbox is to solvate systems,

[gmx-users] The No. of the CO2 melecules in top file can not be updated correctly.

Hi, all, I am still working on the molecular simulation of CO2 and H2O mixture. The information of the molecules types and the force field model are all defined in the a.top file. 1 [ defaults ] 2 ; nbfunccomb-rule gen-pairs fudgeLJ fudgeQQ 3 1 3

Re: [gmx-users] The No. of the CO2 melecules in top file can not be updated correctly.

On 10/4/12 5:29 PM, Bao Kai wrote: Hi, all, I am still working on the molecular simulation of CO2 and H2O mixture. The information of the molecules types and the force field model are all defined in the a.top file. 1 [ defaults ] 2 ; nbfunccomb-rule gen-pairs fudgeLJ