Search found 3 matches

by vb
2016.01.22 17:34
Forum: Mixtures and Flexible Systems
Topic: best-curve001.txt file in EOM and frequency of structures
Replies: 4
Views: 4486

Re: best-curve001.txt file in EOM and frequency of structure

Dear Haydyn, thank you very much. It worked ! But now, which structures are to be taken for the final Rg/Dmax distribution ? To what I understand, this Ga_Cycle_1.txt provides the number of each structures in the 40% best ensembles (a liste of 20 ensembles are provided in this file when 50 ensembles...
by vb
2016.01.12 11:34
Forum: Mixtures and Flexible Systems
Topic: best-curve001.txt file in EOM and frequency of structures
Replies: 4
Views: 4486

Re: best-curve001.txt file in EOM and frequency of structure

Dear Haydyn, Thank you very much. Yes, if you could reintroduce it somehow, it would be great. This would avoid me to use old versions of EOM, as the results are not always completely reproducible with the newest version. Please let me know as soon as I can use the latest version of EOM providing th...
by vb
2015.11.27 14:01
Forum: Mixtures and Flexible Systems
Topic: best-curve001.txt file in EOM and frequency of structures
Replies: 4
Views: 4486

best-curve001.txt file in EOM and frequency of structures

I used to run a version of Gajoe, a few years ago, that provided the output file best-curve001.txt. This output file was very interesting because it contained the list of each 10,000 structures with their respective frequency in the final ensemble, and this allowed us to analyse differently the sele...