[gmx-users] Charmm to Gromacs itps

[Justin Lemkul]

On 1/27/20 4:51 AM, atb files wrote:
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>              Hello users,I have .pdb, .psf and .crd file for one system. How to use them (convert to itp) in Gromacs? Thanks. YogesgSent using Zoho Mail
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Prepare the system with CHARMM-GUI and it will give you all the 
necessary inputs for running in GROMACS.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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