[gmx-users] nm & grompp_d
spoel at xray.bmc.uu.se
Sat Jul 13 11:38:33 CEST 2002
On Fri, 2002-07-12 at 19:04, Nguyen Hoang Phuong wrote:
> Dear All,
> I run the grompp_d with the integration nm (normal mode analysis) but I
> got the message:
> ERROR: invalid enum 'nm' for variable integrator, using
> 'md' Next time use one of: 'md' 'steep' 'cg' 'bd' 'sd'
> The nm was not included in the double precision version?
That shouldn't make a difference. Which version is this?
I think nmrun and mdrun were merged in 3.1
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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