Dr. Fabian Grunewald

Results 150 comments of Dr. Fabian Grunewald

@WeixZeng could you share all the files including the PS PMMA base files you edited?

@WeixZeng in order to find out why links do not apply you can run ``` polyply gen_params -vv ... ``` I believe you have mixed up some atomnames in the...

@WeixZeng can we close this issue or transfer it to the discussions section?

Hi @saabirpetker, It should be easy enough to generate the ff-input files so you can use polyply. I've three questions before: 1) Have you already tried generating an ff-file and...

@saabirpetker no worries about the delayed response. You're lucky because from tomorrow onwards I'll take a longer vacation. I've had a look at your input files and they look pretty...

@saabirpetker did you have any success?

Dear @JakaBrklanje, It's nice to hear that the Cellulose and Dextran parameters work well. To answer your question there are no amylose parameters available at the moment. But you are...

Hi @JakaBrklanje, Don't worry about the issue vs discussion thing too much. I'll transfer it when I see fit. To answer your question: In principle yes you can do it....

@JakaBrklanje thanks for the follow-up. Martini3 water does not freeze at room temperature. Usually, when it does freeze it means the mpd parameters are set incorrectly, there is an excessive...

@ricalessandri can you try removing polyply and reinstalling? Sometimes the toplevel script points to the wrong version of the library.