[gmx-users] Problem with different version!!

Hi all, I apologize in advance if my question has been asked before. I don't follow all the questions and I am sorry. Recently I have faced problem with g_clustsize command in Gromacs. I've used the command as below and I've gotten the error : > g_clustsize_d -f drg -s drg -nc nclut -mc maxclust

[gmx-users] Problem with different version

Hi, I apologize in advance if my question has been asked before. I don't follow all the questions and I am sorry. Recently I have faced problem with g_clustsize command in Gromacs. I've used the command as below and I've gotten the error : > g_clustsize_d -f drg -s drg -nc nclut -mc maxclust -ac

[gmx-users] xdrf Fortran program and g_traj

Hi all, I was wondering if somebody has worked or used the xdrf Fortran program in order to read the coordinates from a .xtc file. There are 6 errors after compiling the program . The subroutines are not included there and I couldn't find them in the links -> http://hpcv100.rc.rug.nl/xdrf.html ,

[gmx-users] xdrf Fortran program and g_traj

Hi all, I was wondering if somebody has worked or used the xdrf Fortran program in order to read the coordinates from a .xtc file. There are 6 errors after compiling the program . The subroutines are not included there and I couldn't find them in the links -> http://hpcv100.rc.rug.nl/xdrf.html ,

[gmx-users] Charging one layer of 3-layer slabs

Hi all, I am simulating 3 graphite slabs and I just want to charge one of them . I edited the .itp file for the graphite slabs and I add some charges (negative charges). My problem is that I don't know how to specify that these charges just belong to the first layer of three layers. I was thinking