[gmx-users] gromacs.org_gmx-users Digest, Vol 171, Issue 114

[Justin Lemkul]

On 7/31/18 2:51 PM, Mohammad Goodarzi wrote:
> Hi Mark,
>
> Thanks for your reply.I have no idea, the protein structure I got was from
> PDB and the only one with the domain I am interested in.
> How can I add the missing stuff into it and then do the job?
> How can I check for such an error which helps me for future ?

Look for MISSING lines in the PDB file. The error suggests you have at 
least one missing atom that needs to be modeled in before pdb2gmx can 
generate your topology.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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340 West Campus Dr.
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jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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