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martini itp for SDS
- exianshine
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12 years 4 months ago #861
by exianshine
martini itp for SDS was created by exianshine
I think SDS is a common surfactant. but I cannot find the itp for SDS in your FF files.
Does it mean that there's some problem in constructing its itp file?
Or the parameters doesn't apply to SDS.
If not, i'll build the itp file for SDS myself.
Thanks a lot.
Does it mean that there's some problem in constructing its itp file?
Or the parameters doesn't apply to SDS.
If not, i'll build the itp file for SDS myself.
Thanks a lot.
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- djurre
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12 years 4 months ago #868
by djurre
Replied by djurre on topic martini itp for SDS
There was a topologie for SDS around, but it had not been added to the "martini_v2.0_surfactants.itp". Now it has been. (cgmartini.nl>downloads>force field paramters>surfactants)
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- exianshine
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12 years 4 months ago #872
by exianshine
Replied by exianshine on topic martini itp for SDS
Thanks for your kindly reply. :)
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