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Hi,
I've been using PMX for a while now and a thought has just popped in to my head: I'm repartitioning hydrogen mass with a scale factor of 3, but noticed in my top files that the dummy atoms added will not be scaled. I.e. I will have hydrogens that are non-dummy with a mass of 3, but the dummy hydrogen atoms will have a mass of 1. Does it matter if the dummy atoms that are being transitioned into /away from are not the same mass as the non-dummy atoms?
I feel like this shouldn't be an issue but I wanted to check just incase,
Thanks.
The text was updated successfully, but these errors were encountered:
Hi,
I've been using PMX for a while now and a thought has just popped in to my head: I'm repartitioning hydrogen mass with a scale factor of 3, but noticed in my top files that the dummy atoms added will not be scaled. I.e. I will have hydrogens that are non-dummy with a mass of 3, but the dummy hydrogen atoms will have a mass of 1. Does it matter if the dummy atoms that are being transitioned into /away from are not the same mass as the non-dummy atoms?
I feel like this shouldn't be an issue but I wanted to check just incase,
Thanks.
The text was updated successfully, but these errors were encountered: