Why MCCE cant find the tpl file for HEME PDD, NTG and PAA ?

GunnerLab / Stable-MCCE

Stable version of MCCE.

MIT License

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Why MCCE cant find the tpl file for HEME PDD, NTG and PAA ? #150

Closed ghost closed 4 years ago

ghost commented 4 years ago

Hi, I followed the steps described in MCCE documentation, but I can see that MCCE generated the new.tpl for HEM, NTG, PDD and PAA .

it seems that MCCE cant see the tpl files for those molecules. I checked the param04 folder, all required tpls are there already !

How could I solve this issue ?

ghost commented 4 years ago

the protein I am using is the same as in the documentation (1AKK.pdb)

newbooks commented 4 years ago

In Stable-MCCE directory, run "git pull", "make clean", and "make" to update the code. Probably the ftpl files of NTG, PAA, PDD and HEM were added after you first downloaded the code.

ghost commented 4 years ago

Oh Thanks, it worked perfectly.