[gmx-users] energygrps too many, more than 100 energy table

[张海平]

Dear gromacs user:
I plan to simulate a system with self defined energy function, it would used about 160 specific energy table. The question is how can I write their long name to energygrps in one line. The follow length is ok, but my energy group is more than that.
energygrps               = A_A  A_C  A_D  A_E  A_F  A_G  A_H  A_I  A_K  A_L  A_M  A_N  A_P  A_Q  A_R  A_S  A_T  A_V  A_W  A_Y  B_A  B_C  B_D  B_E  B_F  B_G  B_H  B_I  B_K  B_L  B_M  B_N  B_P  B_Q  B_R  B_S  B_T  B_V  B_W  B_Y

I hear the length of total energy group name has some limitation, is there any way I can solve this problem. Thanks a lot.


Best regards,
Zhang