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reverse transformation
- nivedita
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11 years 7 months ago #1172
by nivedita
reverse transformation was created by nivedita
Hello Floris,
In short, will you please tell me how to construct fg.top topology ? because i tried every possibility but nothing work. my protein system has 2 positive charge so i have to take minimized topology structure file.
will you please tell me the right way to solve this.
In short, will you please tell me how to construct fg.top topology ? because i tried every possibility but nothing work. my protein system has 2 positive charge so i have to take minimized topology structure file.
will you please tell me the right way to solve this.
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- floris
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11 years 7 months ago #1176
by floris
Replied by floris on topic reverse transformation
Hello Nivedita,
You should model it according to the example in the tutorial, did you see those files?
Your CG topology should also contain a mapping section which describes which atoms are mapped to which beads. Your FG topology should contain the topology of your atomistic structure. You should also make sure that the topology files contain so called include statements to the parameter files of your forcefield e.g. #include "martini_v_2.2.itp". I do not understand your last sentence. Please formulate you question more clear....
You should model it according to the example in the tutorial, did you see those files?
Your CG topology should also contain a mapping section which describes which atoms are mapped to which beads. Your FG topology should contain the topology of your atomistic structure. You should also make sure that the topology files contain so called include statements to the parameter files of your forcefield e.g. #include "martini_v_2.2.itp". I do not understand your last sentence. Please formulate you question more clear....
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