Hi,
I'm a grad student that is rather new to using the amber program I've been working with it for several months now and I have been able to use tutorials to solve most of the issues that I'm coming across, but this issue I haven't been able to find an answer to and it deals with xleap. I'm able to solvate my molecule of interest, but when I go to save the prmtop and inpcrd files it says the the vDw information or some other information is missing from the oxygen and hydrogens in the water atoms. I am loading in the tip3p forcefield and it gives no errors when I load in that forcefield file it's only when I try to save it that this issue appears and I'm confused as to why there would be missing information in the forcefield file if it's solvating the molecule in the first place.
I'm just wondering why this error would be occurring. I appreciate all insight you all might have in solving this issue, hopefully I have described the problem well enough.
Thank you!
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Received on Fri Feb 19 2021 - 09:00:03 PST
