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AMBER Tutorial: How to Prepare PDB File for MD Simulation 

MD with Gourav
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28 окт 2024

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Комментарии : 33   
@ambalika_P
@ambalika_P 10 месяцев назад
Sir do you perform pca analysis of protein?
@muhammadshahab1421
@muhammadshahab1421 Год назад
How to make topology file of protein containing heme group
@kritikagupta3117
@kritikagupta3117 2 года назад
hie..i am doing research where i am learning autodocking and MD simulations using Amber...i am having problem running MD ...i want to ask if you can provide me zoom class where you can teach me amber as i am stuck in few commands
@amanpreetkaur2882
@amanpreetkaur2882 2 года назад
ys sir
@mdwithgourav9263
@mdwithgourav9263 2 года назад
Sorry Kritika, I can't provide any online classes at this moment. But if you have any doubts then you can ask me through email.
@amanpreetkaur2882
@amanpreetkaur2882 2 года назад
sir can u provide ur email id.
@muhammadshahab1421
@muhammadshahab1421 2 года назад
please start DNA - MD simulation
@amanpreetkaur2882
@amanpreetkaur2882 2 года назад
hello sir I have given the command "solvateBox MOL2 TIP3PBOX 10.0" but I am encountering an error Error: solvateBox: Argument #2 is type String must be of type: [unit] usage: solvateBox [iso] [closeness] how to rectify this ...plz help me out!!!!!!
@mdwithgourav9263
@mdwithgourav9263 2 года назад
Are you using LEaP? Is MOL2 your unit name?
@GurpreetSingh-ic5uz
@GurpreetSingh-ic5uz 2 года назад
@@mdwithgourav9263 yes sir
@mdwithgourav9263
@mdwithgourav9263 2 года назад
@@GurpreetSingh-ic5uz, Have you loaded the TIP3P force field for water?
@GurpreetSingh-ic5uz
@GurpreetSingh-ic5uz 2 года назад
@@mdwithgourav9263 how to do that...that is not already embedded in amber
@mdwithgourav9263
@mdwithgourav9263 2 года назад
type the following command in leap before creating the TIP3PBOX: source leaprc.water.tip3p
@mayankmaan7913
@mayankmaan7913 Год назад
Hello Gaurav. Can you please provide me your email? I have some queries about a simulation that I am running.
@mdwithgourav9263
@mdwithgourav9263 Год назад
dgourav109@gmail.com
@atazazahsin9993
@atazazahsin9993 Год назад
Hii
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