[gmx-users] problems with pdb2gmx

David spoel at xray.bmc.uu.se
Tue Sep 3 19:42:01 CEST 2002

On Tue, 2002-09-03 at 19:33, storme at rpi.edu wrote:
> Hi,
> 	I'm trying to simulate a two chain protein in water. The starting
> pdb file that I have contains TER statements to designate the end of the
> chains but when I run it through pdb2gmx it joins the two chains, and gives
> me a long bond error. Is there anyway to make pdb2gmx keep the chains
> separate.
you have to label them separately I think (using chain identifier A and
> 					    Thanks alot,
> 						      Erik
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Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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