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ElNeDyn
- anuvc84
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10 years 10 months ago #1673
by anuvc84
ElNeDyn was created by anuvc84
Dear users,
I am trying to do a CG simulation of protein in water using elnedyn.I have two doubts regarding elnedyn
1. Can elnedyn be used with any version of martini? [topology (system.top) file requires the inclusion of a martini.itp file and no .itp elnedyn ff has been given in the Particle definition section ]
2. Do we have to change the mass of all SC particles in the martini.itp file to 72 ?
Thanking you,
with regards
Anu
I am trying to do a CG simulation of protein in water using elnedyn.I have two doubts regarding elnedyn
1. Can elnedyn be used with any version of martini? [topology (system.top) file requires the inclusion of a martini.itp file and no .itp elnedyn ff has been given in the Particle definition section ]
2. Do we have to change the mass of all SC particles in the martini.itp file to 72 ?
Thanking you,
with regards
Anu
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- xavier
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10 years 10 months ago #1674
by xavier
Replied by xavier on topic ElNeDyn
Yes ElNeDyn is compatible with all versions of MARTINI and the masses of SC have to be 72 UMA.
anuvc84 wrote: Dear users,
I am trying to do a CG simulation of protein in water using elnedyn.I have two doubts regarding elnedyn
1. Can elnedyn be used with any version of martini? [topology (system.top) file requires the inclusion of a martini.itp file and no .itp elnedyn ff has been given in the Particle definition section ]
2. Do we have to change the mass of all SC particles in the martini.itp file to 72 ?
Thanking you,
with regards
Anu
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