leandro.obt at gmail.com
Wed Aug 5 00:16:45 CEST 2015
Have you exported the environment variables which tell g_mmpbsa where
the necessary GROMACS and APBS files are? This is not necessary for me
because I linked everything while compiling, but it must be necessary when
using the pre-compiled binaries
If this doesn't work I can only recommend you to compile from the
On Tue, Aug 4, 2015 at 5:37 PM, elham tazikeh <elham.tazikeh at gmail.com>
> Dear Leandro
> i really appriciate for your help
> i used of *Pre-compiled binary*
> my work and also i did them without -*pdie*, but i saw that error again.
> should i change the number of -*pdie* or not? i saw in Input Keywords for
> Polar Solvation energy
> *pdie* was = 4.....i dont know why???
> i really confused...
> i ll be glad if i solve my error
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users