How can we apply a constant force on a single atom for carrying out MD simulation using NAMD?
Thank u Hamid. But I had certains doubts like while doing contant force pulling should I write SMD on (SMDk, SMDvel) keywords in the input conf file? The output log file for this constant force pulling simulation by NAMD is not giving any Force value. Im not certain if Im on the right path..
Angana
Hamid..thank for your reply. But from what I understood from the VMD manual id that I should use SMD on for constant velocity pulling and for constant force pulling no SMD is required. Am I correct?
Thank you Hamid for the link. to put my query in an easier way- Say I have to apply a force of 80pN then what should be my SMDVel and SMDk in the conf file?
Thank u so much Hamid, its been helpful I could make a onf file for NAMd simulation. But Im still confused as to what is the difference between constant force pulling and constant velocity pulling in terms of input and output of NAMD??
Yes that is what I was thinking...that means in case of constant force pulling SMD is on and constantforce is also on (in the input conf file of NAMD) or SMD is off and just constantforce is on? Thank u so much for making things clear. I really appreciate your help
yes for Constant velocity SMD yes is d condition I know but for constant force should SMD be yes or there shouldnt be any SMD keywords?
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