[gmx-users] remove all waters from the pdb file

Justin A. Lemkul jalemkul at vt.edu
Thu Jan 27 14:18:07 CET 2011

ahmet yıldırım wrote:
> Dear users,
> I want to remove all waters from the xxx.pdb file. Then, I want to save 
> the pdb file (new pdb) without waters because I will use the methanol as 
> a solvent. I looked at mail list but I could not find the answer I wanted.
> What should I do?

Please read trjconv -h, with special attention to point #2 in the opening list.


> Thanks in advance
> -- 


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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