[AMBER] Using tleap tho have the .inpcrd and crd file

From: ABEL Stephane <Stephane.ABEL.cea.fr>
Date: Tue, 28 Apr 2020 11:51:39 +0000


Sorry if it is basic a question

I would like to use tleap to obtain the corresponding .inpcrd and crd files from a PDB of a solvated system that contains X molecules of Glycolipids and Y waters obtained from a previous MD with GROMACS

I have already the mol2/prmtop files for one glycolipid molecule based on GLYCAM06 and the water is the tip3p water model obtained with tleap. I did not find a tutorial to explain to how to do.

Any insights ?

Thank you


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Received on Tue Apr 28 2020 - 05:00:02 PDT
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